In [1]:
import sys
import os
import re
%matplotlib notebook
# %matplotlib inline
%config InlineBackend.figure_format = 'retina'
from matplotlib import pylab as plt
import sys
import glob, os
curr_ld_lib_path = ''
os.environ['LD_LIBRARY_PATH'] = curr_ld_lib_path + ':/project/projectdirs/openmsi/jupyterhub_libs/boost_1_55_0/lib' + ':/project/projectdirs/openmsi/jupyterhub_libs/lib'
import sys
# sys.path.remove('/anaconda/lib/python2.7/site-packages')
sys.path.append('/global/project/projectdirs/openmsi/jupyterhub_libs/anaconda/lib/python2.7/site-packages')
sys.path.insert(0,'/global/project/projectdirs/metatlas/anaconda/lib/python2.7/site-packages' )
from metatlas import metatlas_objects as metob
from metatlas import h5_query as h5q
from metatlas import mzml_to_hdf
sys.path.append('/project/projectdirs/openmsi/projects/meta-iq/pactolus/pactolus')
import score_frag_dag
from rdkit import Chem
from rdkit.Chem import AllChem
from rdkit.Chem import Draw
# from rdkit.Chem.rdMolDescriptors import ExactMolWt
from rdkit.Chem import Descriptors
from rdkit.Chem import rdMolDescriptors
from rdkit.Chem import AllChem
from rdkit.Chem import Draw
from rdkit.Chem import rdDepictor
from rdkit.Chem.Draw import rdMolDraw2D
from rdkit.Chem.Draw import IPythonConsole
from IPython.display import SVG,display
In [ ]:
# These are the tests:
# if len(Chem.GetMolFrags(mol, sanitizeFrags=False, asMols=False)) != 1:
# raise TypeError('Molecule must be fully connected by covalent bonds.')
# if Chem.RemoveHs(mol).GetNumAtoms() != mol.GetNumAtoms():
# raise TypeError('Molecule must have only implicit H atoms.')
# if GetFormalCharge(mol) != 0:
# raise TypeError('Molecule must have overall neutral charge.')
In [2]:
""" contribution from Hans de Winter """
def _InitialiseNeutralisationReactions():
patts= (
# Imidazoles
('[n+;H]','n'),
# Amines
('[N+;!H0]','N'),
# Carboxylic acids and alcohols
('[$([O-]);!$([O-][#7])]','O'),
# Thiols
('[S-;X1]','S'),
# Sulfonamides
('[$([N-;X2]S(=O)=O)]','N'),
# Enamines
('[$([N-;X2][C,N]=C)]','N'),
# Tetrazoles
('[n-]','[nH]'),
# Sulfoxides
('[$([S-]=O)]','S'),
# Amides
('[$([N-]C=O)]','N'),
)
return [(Chem.MolFromSmarts(x),Chem.MolFromSmiles(y,False)) for x,y in patts]
_reactions=None
def NeutraliseCharges(mol, reactions=None):
global _reactions
if reactions is None:
if _reactions is None:
_reactions=_InitialiseNeutralisationReactions()
reactions=_reactions
# mol = Chem.MolFromSmiles(smiles)
replaced = False
for i,(reactant, product) in enumerate(reactions):
while mol.HasSubstructMatch(reactant):
replaced = True
rms = AllChem.ReplaceSubstructs(mol, reactant, product)
rms_smiles = Chem.MolToSmiles(rms[0])
mol = Chem.MolFromSmiles(rms_smiles)
if replaced:
return (mol, True) #Chem.MolToSmiles(mol,True)
else:
return (mol, False)
def drawStructure_ShowingFragment(pactolus_tree,fragment_idx,myMol,myMol_w_Hs):
drawer = rdMolDraw2D.MolDraw2DSVG(600,300)
fragment_atoms = np.where(pactolus_tree[fragment_idx]['atom_bool_arr'])[0]
mark_atoms_no_H = []
for a_index in fragment_atoms:
if myMol_w_Hs.GetAtomWithIdx(a_index).GetSymbol() != 'H':
mark_atoms_no_H.append(a_index)
rdDepictor.Compute2DCoords(myMol)
drawer.DrawMolecule(myMol,highlightAtoms=mark_atoms_no_H)
drawer.FinishDrawing()
svg = drawer.GetDrawingText().replace('svg:','')
return svg
def drawStructure_Fragment(pactolus_tree,fragment_idx,myMol,myMol_w_Hs):
fragment_atoms = np.where(pactolus_tree[fragment_idx]['atom_bool_arr'])[0]
depth_of_hit = np.sum(pactolus_tree[fragment_idx]['bond_bool_arr'])
mol2 = deepcopy(myMol_w_Hs)
# Now set the atoms you'd like to remove to dummy atoms with atomic number 0
fragment_atoms = np.where(pactolus_tree[fragment_idx]['atom_bool_arr']==False)[0]
for f in fragment_atoms:
mol2.GetAtomWithIdx(f).SetAtomicNum(0)
# Now remove dummy atoms using a query
mol3 = Chem.DeleteSubstructs(mol2, Chem.MolFromSmarts('[#0]'))
mol3 = Chem.RemoveHs(mol3)
# You get what you are looking for
return moltosvg(mol3),depth_of_hit
def moltosvg(mol,molSize=(450,150),kekulize=True):
mc = Chem.Mol(mol.ToBinary())
if kekulize:
try:
Chem.Kekulize(mc)
except:
mc = Chem.Mol(mol.ToBinary())
if not mc.GetNumConformers():
rdDepictor.Compute2DCoords(mc)
drawer = rdMolDraw2D.MolDraw2DSVG(molSize[0],molSize[1])
drawer.DrawMolecule(mc)
drawer.FinishDrawing()
svg = drawer.GetDrawingText()
# It seems that the svg renderer used doesn't quite hit the spec.
# Here are some fixes to make it work in the notebook, although I think
# the underlying issue needs to be resolved at the generation step
return svg.replace('svg:','')
def get_ion_from_fragment(frag_info,spectrum):
hit_indices = np.where(np.sum(frag_info,axis=1))
hit = spectrum[hit_indices,:][0]
return hit,hit_indices
In [4]:
allCompounds = metob.retrieve('Compounds',InchI='InchI%')
print len(allCompounds)
allCompounds[0]
#11539 trees of depth 5 Curt had before I messed with it.
11875
Out[4]:
{'InChI': u'InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13-,15-/m1/s1',
'MonoIsotopic_molecular_weight': 204.18780517578125,
'creation_time': '2015-10-08T17:37:27',
'description': u'',
'formula': u'C15H24',
'functional_sets': [],
'head_id': u'0005ec9d4a8e4f1c9bd7cdee585a1ebc',
'last_modified': '2015-10-08T17:38:13',
'name': u'(-)-4-epieremophilene',
'prev_uid': u'origin',
'reference_xrefs': [],
'synonyms': u'',
'unique_id': u'0005ec9d4a8e4f1c9bd7cdee585a1ebc',
'url': u'',
'username': u'bpb'}
In [3]:
idx = 2292 #345 #33
myMol = Chem.MolFromInchi(str(allCompounds[idx].InChI))
myCharge = Chem.GetFormalCharge(myMol)
print myCharge
print Chem.MolToSmiles(myMol)
SVG(moltosvg(myMol))
---------------------------------------------------------------------------
NameError Traceback (most recent call last)
<ipython-input-3-f1390c99bd8a> in <module>()
1 idx = 2292 #345 #33
----> 2 myMol = Chem.MolFromInchi(str(allCompounds[idx].InChI))
3 myCharge = Chem.GetFormalCharge(myMol)
4 print myCharge
5 print Chem.MolToSmiles(myMol)
NameError: name 'allCompounds' is not defined
In [113]:
if myCharge != 0:
(myMol, neutralised) = NeutraliseCharges(myMol)
print Chem.GetFormalCharge(myMol)
print Chem.MolToSmiles(myMol)
print neutralised
SVG(moltosvg(myMol))
0
CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
True
Out[113]:
In [78]:
all_my_h5_files = glob.glob('/global/project/projectdirs/openmsi/projects/ben_trees/*_hdf5_5_*.h5')
inchi_keys = []
for f in all_my_h5_files:
temp = f.replace('/global/project/projectdirs/openmsi/projects/ben_trees/FragTreeLibrary_test_hdf5_5_','').replace('h5','').replace('.','')
inchi_keys.append(temp)
len(inchi_keys)
#was 13189 before
Out[78]:
13189
In [ ]:
# molecules not connected by covalent bonds = MANY!!!
# molecules not neutral = MANY!!!
In [86]:
# get inchi key for neutralized molecules
ik = []
nb = []
inchi = []
original_idx = []
charge = []
for idx,myCompound in enumerate(allCompounds):
myMol = Chem.MolFromInchi(str(myCompound.InChI))
try:
if len(Chem.GetMolFrags(myMol, sanitizeFrags=False, asMols=False)) == 1:
myCharge = Chem.GetFormalCharge(myMol)
if myCharge != 0:
(myMol, neutralised) = NeutraliseCharges(myMol)
myCharge = Chem.GetFormalCharge(myMol)
if myCharge == 0:
i = Chem.MolToInchi(myMol)
inchi.append(i)
ik.append(Chem.InchiToInchiKey(i))
nb.append(myMol.GetNumBonds())
charge.append(Chem.GetFormalCharge(myMol))
original_idx.append(idx)
except:
print "Can not parse ", myCompound.name, myCompound.InChI
In [87]:
len(charge)
Out[87]:
11443
In [88]:
import numpy as np
print np.sort(charge)[::-1]
[0 0 0 ..., 0 0 0]
In [82]:
from rdkit.Chem.rdmolops import GetFormalCharge
for i,mykey in enumerate(ik):
try:
inchi_keys.index(mykey)
except:
mol = Chem.MolFromInchi(inchi[i])
# rms_smiles = Chem.MolToSmiles(mol)
# mol = Chem.MolFromSmiles(rms_smiles)
if Chem.GetFormalCharge(mol) != 0:
# raise TypeError('Molecule must have overall neutral charge.')
# if len(Chem.GetMolFrags(mol, sanitizeFrags=False, asMols=False)) != 1:
# print original_idx[i],allCompounds[original_idx[i]].name,' must behave neutral charge.'
File "<ipython-input-82-9622886c00cf>", line 12
# print original_idx[i],allCompounds[original_idx[i]].name,' must behave neutral charge.'
^
IndentationError: expected an indented block
In [106]:
# go through all metatlas compounds and see which ones have not been made yet
# so far, up to #nbonds=49 have been run.
c=0
no_tree = {}
no_tree['original_id'] = []
no_tree['num_bonds'] = []
no_tree['name'] = []
no_tree['inchi'] = []
for i,mykey in enumerate(ik):
try:
inchi_keys.index(mykey)
except:
if nb[i]>2:
# print "ID =",original_idx[i],"#bonds =",nb[i],"\t",allCompounds[original_idx[i]].name, "is not created yet"
no_tree['original_id'].append(original_idx[i])
no_tree['num_bonds'].append(nb[i])
no_tree['name'].append(allCompounds[original_idx[i]].name)
no_tree['inchi'].append(inchi[i])
c=c+1
print c
1707
In [111]:
idx = np.argsort(no_tree['num_bonds'])
fid = open('inchis_remaining_20151111.txt','wb')
for i in idx:
print "ID =",no_tree['original_id'][i],"# Bonds =",no_tree['num_bonds'][i],no_tree['name'][i]
fid.write('%s\n'%no_tree['inchi'][i])
fid.close()
ID = 969 # Bonds = 25 [1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl diphosphate
ID = 2292 # Bonds = 29 |squalene|
ID = 6163 # Bonds = 31 marneral
ID = 10892 # Bonds = 31 5-hydroxy-CTP
ID = 11469 # Bonds = 33 dammara-20,24-dien
ID = 5188 # Bonds = 34 <i>N</i>-(2-hydroxydodecanoyl)-4,8-sphingadienine
ID = 7867 # Bonds = 34 phylloquinol
ID = 8233 # Bonds = 34 lanosterol
ID = 6132 # Bonds = 34 24-ethylidenelophenol
ID = 11099 # Bonds = 35 N-(2-hydroxydodecanoyl)-phytosphingosine
ID = 1501 # Bonds = 35 β-amyrin
ID = 8026 # Bonds = 35 dammarenediol II
ID = 5061 # Bonds = 35 cycloartenol
ID = 7726 # Bonds = 35 14-hydroxylanosterol
ID = 1343 # Bonds = 35 isoarborinol
ID = 6738 # Bonds = 35 ω-hydroxyphylloquinone
ID = 1683 # Bonds = 35 <i>N</i>-(2-hydroxytridecanoyl)-4,8-sphingadienine
ID = 8273 # Bonds = 35 24(25)-dihydrocycloartenol
ID = 10998 # Bonds = 35 bauerenol
ID = 4084 # Bonds = 36 protopanaxadiol
ID = 1739 # Bonds = 36 24-methylenecycloartanol
ID = 11819 # Bonds = 36 <i>N</i>-(2-hydroxytetradecanoyl)-4,8-sphingadienine
ID = 2764 # Bonds = 36 16β-hydroxy-β-amyrin
ID = 9562 # Bonds = 36 cyclobranol
ID = 5925 # Bonds = 36 N-(2-hydroxytridecanoyl)-phytosphingosine
ID = 1033 # Bonds = 36 vitamin K 2,3-epoxide
ID = 8048 # Bonds = 36 (24R)-24-methylcycloarta-25-en-3-β-ol
ID = 11631 # Bonds = 37 C16 dihydroceramide
ID = 6946 # Bonds = 37 sphing-8(E)-enine-16:0, ceramide
ID = 6408 # Bonds = 37 protopanaxatriol
ID = 1655 # Bonds = 37 <i>N</i>-(2-hydroxypentadecanoyl)-4,8-sphingadienine
ID = 795 # Bonds = 37 N-(2-hydroxytetradecanoyl)-phytosphingosine
ID = 5545 # Bonds = 37 mycinamicin VIII
ID = 9383 # Bonds = 37 12,13β-epoxy-β-amyrin
ID = 10752 # Bonds = 37 sphing-4-enine-16-ceramide
ID = 4101 # Bonds = 37 sphing-8(Z)-enine-16:0, ceramide
ID = 5946 # Bonds = 38 mycinamicin VII
ID = 724 # Bonds = 38 12,13β-epoxy-16β-hydroxy-β-amyrin
ID = 1320 # Bonds = 38 (8E)-4-hydroxysphing-8-enine-16:0, ceramide
ID = 11505 # Bonds = 38 3-hexaprenyl-4-aminophenol
ID = 6574 # Bonds = 38 neopikromycin
ID = 4633 # Bonds = 38 N-(2-hydroxypentadecanoyl)-phytosphingosine
ID = 9624 # Bonds = 38 3-hexaprenyl-4-hydroxyphenol
ID = 10694 # Bonds = 38 <i>N</i>-(2-hydroxyhexadecanoyl)-4,8-sphingadienine
ID = 10152 # Bonds = 38 β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-<i>N</i>-acetyl-β-D-glucosamine
ID = 3811 # Bonds = 38 (8<i>Z</i>)-4-hydroxy-sphing-8-enine-16:0, ceramide
ID = 11803 # Bonds = 38 tetracenomycin X
ID = 11585 # Bonds = 39 novapikromycin
ID = 9541 # Bonds = 39 24-methylcycloartenol
ID = 9754 # Bonds = 39 fusicoccin P
ID = 764 # Bonds = 39 sphing-8(E)-enine-18:0, ceramide
ID = 9642 # Bonds = 39 (4E,8E)-sphingadienine-18:0, ceramide
ID = 9908 # Bonds = 39 (+)-secoisolariciresinol monoglucoside
ID = 178 # Bonds = 39 parthenolide-glutathione
ID = 7085 # Bonds = 39 N-(2-hydroxyhexadecanoyl)-phytosphingosine
ID = 9404 # Bonds = 39 2-hexaprenyl-6-methoxyaminobenzene
ID = 3187 # Bonds = 39 sphing-8(Z)-enine-18:0, ceramide
ID = 8909 # Bonds = 39 sphing-4-enine-18:1-ceramide
ID = 6379 # Bonds = 39 (4E,8Z)-sphingadienine-18:0, ceramide
ID = 2988 # Bonds = 40 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine
ID = 6956 # Bonds = 40 1D-<i>myo</i>inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate
ID = 10379 # Bonds = 40 (8E)-4-hydroxysphing-8-enine-18:0, ceramide
ID = 5276 # Bonds = 40 <i>N</i>-(2-hydroxyoctadecanoyl)-4,8-sphingadienine
ID = 5231 # Bonds = 40 prochaetoglobosin I
ID = 2309 # Bonds = 40 sphing-8(E)-enine-19:0, ceramide
ID = 4026 # Bonds = 40 4-diphospho-1D-myo-inositol (1,2,3,5,6)pentakisphosphate
ID = 9865 # Bonds = 40 sphing-8(Z)-enine-19:0, ceramide
ID = 10023 # Bonds = 40 3-hexaprenyl-4-aminobenzoate
ID = 10084 # Bonds = 40 N-octadecanoyl-phytosphingosine
ID = 4875 # Bonds = 40 oleuropein
ID = 11534 # Bonds = 40 1D-<i>myo</i>-inositol 1-diphosphate 2,3,4,5,6-pentakisphosphate
ID = 11210 # Bonds = 40 20-deoxo-20-dihydro-12,13-deepoxyrosamicin
ID = 5662 # Bonds = 40 (8<i>Z</i>)-4-hydroxy-sphing-8-enine-18:0 ceramide
ID = 5913 # Bonds = 40 6-diphospho-1D-myo-inositol (1,2,3,4,5)pentakisphosphate
ID = 143 # Bonds = 40 2-hexaprenyl-6-methoxyaminophenol
ID = 11730 # Bonds = 40 1D-<i>myo</i>-inositol 3-diphosphate 1,2,4,5,6-pentakisphosphate
ID = 13 # Bonds = 40 okenane
ID = 6278 # Bonds = 40 L-leucyl-arginomycin
ID = 10565 # Bonds = 41 1'-hydroxy-γ-carotene
ID = 3669 # Bonds = 41 4-imino-demethoxy-ubiquinone
ID = 5637 # Bonds = 41 2-hexaprenyl-3-methyl-6-methoxyaminophenol
ID = 4782 # Bonds = 41 <i>N</i>-(2-hydroxynonadecanoyl)-4,8-sphingadienine
ID = 5696 # Bonds = 41 N-(2-hydroxyoctadecanoyl)-phytosphingosine
ID = 3483 # Bonds = 41 5-<i>O</i>-β-mycaminosyltylactone
ID = 4969 # Bonds = 41 adhyperforin
ID = 10367 # Bonds = 41 3-hexaprenyl-4-amino-5-hydroxybenzoate
ID = 9176 # Bonds = 41 1-oleoyl-2-palmitoyl-glycerol
ID = 4208 # Bonds = 41 terrequinone A
ID = 5441 # Bonds = 41 1-stearoyl-2-palmitoyl-glycerol
ID = 11866 # Bonds = 42 spheroiden-2-ol
ID = 7730 # Bonds = 42 (8<i>Z</i>)-4-hydroxy-sphing-8-enine-20:0 ceramide
ID = 453 # Bonds = 42 1'-hydroxy-1',2'-dihydro-β,ψ-caroten-4'-one
ID = 8700 # Bonds = 42 20-deoxo-20-dihydrorosamicin
ID = 2714 # Bonds = 42 (8E)-4-hydroxy-sphing-8-enine-20:1 ceramide
ID = 1850 # Bonds = 42 N-(2-hydroxynonadecanoyl)-phytosphingosine
ID = 4795 # Bonds = 42 chaetoglobosin J
ID = 5071 # Bonds = 42 prochaetoglobosin IV
ID = 1007 # Bonds = 42 <i>N</i>-(2-hydroxyicosanoyl)-4,8-sphingadienine
ID = 11300 # Bonds = 42 isocryptoxanthin
ID = 7766 # Bonds = 42 (8<i>Z</i>)-4-hydroxy-sphing-8-enine-20:1 ceramide
ID = 2589 # Bonds = 42 (8E)-4-hydroxysphing-8-enine-20:0 ceramide
ID = 3770 # Bonds = 42 1,2-dimyristoyl-phosphatidyl-ethanolamine
ID = 6382 # Bonds = 42 20-hydroxy-5-<i>O</i>-mycaminosyltylactone
ID = 2032 # Bonds = 42 cytoglobosin D
ID = 4142 # Bonds = 42 20-oxo-5-<i>O</i>-β-mycaminosyltylactone
ID = 2297 # Bonds = 42 3-hexaprenyl-4-amino-5-methoxybenzoate
ID = 6447 # Bonds = 42 β-1,4-D-mannopyranosyl-β-1,4-N-acetyl-D-glucosaminyl-β-1,4-N-acetyl-D-glucosamine
ID = 8335 # Bonds = 42 rhamnosyl tricyclic spinosyn pseudoaglycone
ID = 6635 # Bonds = 43 hydroxyspheroidenone
ID = 83 # Bonds = 43 aflatrem
ID = 6496 # Bonds = 43 destruxin B
ID = 6049 # Bonds = 43 5-<i>O</i>-β-mycaminosyltylonolide
ID = 2185 # Bonds = 43 3,4-didehydroisozeaxanthin
ID = 8629 # Bonds = 43 rosamicin
ID = 5160 # Bonds = 43 β-aflatrem
ID = 8191 # Bonds = 43 2,2-dihydroxyspheroidene
ID = 7940 # Bonds = 43 thiothece-474
ID = 9205 # Bonds = 43 rhamnosyl tetracyclic spinosyn pseudoaglycone
ID = 2887 # Bonds = 43 <i>O</i>-perylenebutylmethylphosphonic-acid-p-nitrophenyl ester
ID = 9551 # Bonds = 43 ulongamide F
ID = 5197 # Bonds = 43 10-carboxy-3-deoxycarminomycin
ID = 2099 # Bonds = 43 β,β-carotene-4-one
ID = 1833 # Bonds = 43 1,2-dioleoylglycerol
ID = 1731 # Bonds = 43 20-dihydrorosamicin
ID = 6777 # Bonds = 43 glucosyl-4,4'-diaponeurosporenoate
ID = 10369 # Bonds = 43 <i>N</i>-(2-hydroxyhenicosanoyl)-4,8-sphingadienine
ID = 9450 # Bonds = 43 okenone
ID = 6891 # Bonds = 43 N-(2-hydroxyicosanoyl)-phytosphingosine
ID = 10153 # Bonds = 44 2'-<i>O</i>-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
ID = 7068 # Bonds = 44 (8E)-4-hydroxy-sphing-8-enine-22:0 ceramide
ID = 7874 # Bonds = 44 5,6-bisdiphosphoinositol-1D-myoinositol (1,2,3,4)tetrakisphosphate
ID = 10387 # Bonds = 44 arbekacin 2''-phosphate
ID = 8388 # Bonds = 44 chaetoglobosin A
ID = 1363 # Bonds = 44 (8<i>Z</i>)-4-hydroxy-sphing-8-enine-22:0 ceramide
ID = 9833 # Bonds = 44 20-dihydro-chaetoglobosin A
ID = 1436 # Bonds = 44 mannose-(1D-myo-inositol 1-phosphate)<sub>2</sub>
ID = 4021 # Bonds = 44 <i>N</i>-(2-hydroxydocosanoyl)-4,8-sphingadienine
ID = 7320 # Bonds = 44 caldariellaquinol
ID = 10433 # Bonds = 44 terpendole J
ID = 1613 # Bonds = 44 saframycin S
ID = 4205 # Bonds = 44 adonirubin
ID = 9495 # Bonds = 44 fusicoccin J
ID = 3991 # Bonds = 44 2-hydroxycanthaxanthin
ID = 1677 # Bonds = 44 1D-<i>myo</i>-inositol 1,5-bis(diphosphate) 2,3,4,6-tetrakisphosphate
ID = 1491 # Bonds = 44 4,5-bisdiphosphoinositol-1D-<i>myo</i>-inositol (1,2,3,6)tetrakisphosphate
ID = 11252 # Bonds = 44 4-<i>O</i>-acetyl-UDP-<i>N</i>-acetylglucosamine
ID = 464 # Bonds = 44 2-hydroxyspirilloxanthin
ID = 5609 # Bonds = 44 thiomarinol C
ID = 11422 # Bonds = 44 10-carboxy-13-deoxydaunorubicin
ID = 5762 # Bonds = 44 methoxyspheroidenone
ID = 8825 # Bonds = 44 thiomarinol G
ID = 590 # Bonds = 44 previridicatumtoxin
ID = 462 # Bonds = 44 15-demethoxyaclacinomycin T
ID = 454 # Bonds = 44 obyanamide
ID = 5416 # Bonds = 44 3,5-bisdiphosphoinositol-1D-<i>myo</i>-inositol 2,3,4,6-tetrakisphosphate
ID = 4481 # Bonds = 45 4-<i>O</i>-methylrhodomycinone D
ID = 9035 # Bonds = 45 archeaol
ID = 797 # Bonds = 45 thiomarinol F
ID = 9349 # Bonds = 45 1-stearoyl-2-palmitoyl-<i>sn</i>-glycerol 3-phosphate
ID = 1592 # Bonds = 45 2-oxo-2'-hydroxyspirilloxanthin
ID = 7803 # Bonds = 45 saframycin A
ID = 6881 # Bonds = 45 <i>N</i>-(2-hydroxytricosanoyl)-4,8-sphingadienine
ID = 7839 # Bonds = 45 dup 128
ID = 3422 # Bonds = 45 ceramide A (C24)
ID = 1465 # Bonds = 45 3R,3'S-astaxanthin
ID = 4278 # Bonds = 45 chitotriose
ID = 1338 # Bonds = 45 N-(2-hydroxydocosanoyl)-phytosphingosine
ID = 4220 # Bonds = 45 2,2-dihydroxyspirilloxanthin
ID = 5493 # Bonds = 45 2-hydroxyadonixanthin
ID = 2539 # Bonds = 45 isopentenyldehydrorhodopin
ID = 11068 # Bonds = 45 2,2'-dihydroxycanthaxanthin
ID = 84 # Bonds = 45 1-[18-hydroxyoeoyl]-2-[18-hydroxy-lioleoyl]-<i>sn</i>-glycerol
ID = 6352 # Bonds = 45 2',3'-<i>O</i>-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
ID = 3848 # Bonds = 45 terpendole C
ID = 5973 # Bonds = 45 saframycin Y3
ID = 8227 # Bonds = 45 bafilomycin A1
ID = 2179 # Bonds = 45 dihydroisopentenyldehydrorhodopin
ID = 9137 # Bonds = 45 10-formyl-tetrahydrofolate di-L-glutamate
ID = 8293 # Bonds = 45 UDP-2-acetamido-3-acetamidino-2,3-dideoxy-α-D-mannuronate
ID = 10925 # Bonds = 45 3S,3'S-astaxanthin
ID = 409 # Bonds = 45 thiomarinol A
ID = 6383 # Bonds = 46 9'-<i>cis</i>-neoxanthin
ID = 2734 # Bonds = 46 N-(2-hydroxytricosanoyl)-phytosphingosine
ID = 8433 # Bonds = 46 ceramide B' (C24)
ID = 8224 # Bonds = 46 (2R,3Z)-phycocyanobilin
ID = 6604 # Bonds = 46 <i>trans</i>-neoxanthin
ID = 4700 # Bonds = 46 (2R,3E)-phycocyanobilin
ID = 1534 # Bonds = 46 thiomarinol D
ID = 2020 # Bonds = 46 CMP-<i>N</i>-acetyl-7-<i>O</i>-acetylneuraminate
ID = 8363 # Bonds = 46 mesobiliverdin
ID = 7434 # Bonds = 46 (15<i>Z</i>)-phycoviolobilin
ID = 3741 # Bonds = 46 5'-demethoxy-6-methoxypodophyllotoxin 7-glucoside
ID = 2428 # Bonds = 46 2,3,2',3'-tetrahydroxy-β,β-caroten-4-one
ID = 9507 # Bonds = 46 asperlicin
ID = 9542 # Bonds = 46 D-urobilinogen
ID = 1688 # Bonds = 46 pelargonidin 3-<i>O</i>-β-D-p-coumaroylglucoside
ID = 6739 # Bonds = 46 (3Z)-phycoerythrobilin
ID = 9809 # Bonds = 46 pelargonidin 3-<i>O</i>-sophoroside
ID = 2223 # Bonds = 46 <i>N</i>-(2-hydroxytetracosanoyl)-4,8-sphingadienine
ID = 3758 # Bonds = 46 quercetin-3-rhamnoside-7-rhamnoside
ID = 10198 # Bonds = 46 podophyllotoxin 7-glucoside
ID = 3090 # Bonds = 46 (2R,3E)-phycoerythrobilin
ID = 718 # Bonds = 46 GDP-D-<i>erythro</i>-α-D-<i>gluco</i>-octose
ID = 11717 # Bonds = 46 luteolin 7-<i>O</i>-neohesperidoside
ID = 7894 # Bonds = 46 2',3',4'-<i>O</i>-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
ID = 10124 # Bonds = 46 D-urobilin
ID = 8595 # Bonds = 46 saframycin MX1
ID = 3852 # Bonds = 46 reduced coenzyme F<sub>420</sub>-1
ID = 7253 # Bonds = 46 GDP-2-acetamido-2-deoxy-β-mannuronate
ID = 4918 # Bonds = 46 (15<i>E</i>)-phycoviolobilin
ID = 7203 # Bonds = 46 2-hydroxyastaxanthin
ID = 7181 # Bonds = 46 dalcochinin-8'-O-β-glucoside
ID = 2864 # Bonds = 46 2-oxo-2',2'-dihydroxyspirilloxanthin
ID = 11597 # Bonds = 46 7-<i>O</i>-methylvitexin 2''-<i>O</i>-β-L-rhamnoside
ID = 11 # Bonds = 46 ceramide B (C24)
ID = 2906 # Bonds = 46 amikacin 2''-phosphate
ID = 11655 # Bonds = 46 viridicatumtoxin
ID = 1447 # Bonds = 46 pelargonidin 3,7-di-<i>O</i>-β-<i>D</i>-glucoside
ID = 6994 # Bonds = 46 1-16:1-2-16:1-phosphatidylethanolamine
ID = 7509 # Bonds = 47 5-oxo-δ-bilirubin
ID = 9569 # Bonds = 47 C16 sphingomyelin
ID = 2090 # Bonds = 47 8-demethyl-8-α-L-rhamnosyl-tetracenomycin C
ID = 9715 # Bonds = 47 2,3,2',3'-tetrahydroxy-β,β-carotene-4,4'-dione
ID = 1246 # Bonds = 47 thiomarinol B
ID = 4583 # Bonds = 47 fumitremorgin A
ID = 9837 # Bonds = 47 ferrichrome with no bound iron
ID = 9333 # Bonds = 47 ceramide C (C24)
ID = 7756 # Bonds = 47 3-<i>O</i>-β-D-glucosyl-diosgenin
ID = 10305 # Bonds = 47 ceramide A (C26)
ID = 5309 # Bonds = 47 apicidin E
ID = 10287 # Bonds = 47 pepstatin A
ID = 6094 # Bonds = 47 thiomarinol E
ID = 3520 # Bonds = 47 cellotetraose
ID = 9377 # Bonds = 47 brassicicolin A
ID = 125 # Bonds = 47 8'-(3,4-dihydroxy-5-alkenyl)phenyl-3-[9'E,11'E,13'Z-pentadecatrienyl]catechol
ID = 3736 # Bonds = 47 3-demethylubiquinol-<i>7</i>
ID = 5651 # Bonds = 47 globomycin
ID = 11384 # Bonds = 47 acarbose
ID = 4061 # Bonds = 47 15-oxo-β-bilirubin
ID = 4056 # Bonds = 47 neohesperidin
ID = 7962 # Bonds = 47 9-<i>cis</i>-violaxanthin
ID = 4815 # Bonds = 47 <i>N</i>-(2-hydroxypentacosanoyl)-4,8-sphingadienine
ID = 2466 # Bonds = 47 apicidin B
ID = 10619 # Bonds = 47 1-stearoyl-2-oleoyl-<i>sn</i>-glycerol 3-phosphate
ID = 9438 # Bonds = 47 delphinidin 3-<i>O</i>-rutinoside
ID = 9094 # Bonds = 47 1,2-dipalmitoyl-phosphatidyl-<i>N</i>-methylethanolamine
ID = 8622 # Bonds = 47 violaxanthin
ID = 309 # Bonds = 47 21,22-diprenylpaxilline
ID = 4417 # Bonds = 48 8-demethyl-8-(2-O-methyl-α-L-rhamnosyl)-tetracenomycin C
ID = 4380 # Bonds = 48 6-methoxypodophyllotoxin 7-glucoside
ID = 1855 # Bonds = 48 ceramide B' (C26)
ID = 11763 # Bonds = 48 6G-di-β-D-fructofuranosylsucrose
ID = 10854 # Bonds = 48 α-D-mannosyl-(1→3)-α-D-mannosyl-(1→2)-α-D-mannosyl-(1→2)-D-mannose
ID = 9533 # Bonds = 48 N-(2-hydroxypentacosanoyl)-phytosphingosine
ID = 10966 # Bonds = 48 isolychnose
ID = 3143 # Bonds = 48 <i>N</i>-(2-hydroxyhexacosanoyl)-4,8-sphingadienine
ID = 3572 # Bonds = 48 (20<i>S</i>)-ginsenoside Rh2
ID = 668 # Bonds = 48 apicidin D2
ID = 3331 # Bonds = 48 etoposide
ID = 7106 # Bonds = 48 lychnose
ID = 7125 # Bonds = 48 lavendomycin
ID = 8207 # Bonds = 48 proansamycin X
ID = 633 # Bonds = 48 dimeric urushiol peroxide
ID = 3083 # Bonds = 48 (8<i>Z</i>)-4-hydroxy-sphing-8-enine-26:0 ceramide
ID = 1531 # Bonds = 48 ginsenoside C-K
ID = 10285 # Bonds = 48 ceramide D (C24)
ID = 225 # Bonds = 48 trypanothione disulfide
ID = 1526 # Bonds = 48 apicidin
ID = 2723 # Bonds = 48 mediose
ID = 2613 # Bonds = 48 ceramide B (C26)
ID = 5411 # Bonds = 48 34α-deoxy-rifamycin W
ID = 8608 # Bonds = 48 1,2-dipalmitoyl-phosphatidyl-<i>N</i>-dimethylethanolamine
ID = 11706 # Bonds = 48 (8E)-4-hydroxy-sphing-8-enine-26:0 ceramide
ID = 11365 # Bonds = 48 delphinidin 3,7-di <i>O</i>-β-<i>D</i>-glucoside
ID = 248 # Bonds = 48 tuberactinomycin O
ID = 6084 # Bonds = 48 maltotetraose
ID = 603 # Bonds = 49 ceramide C (C26)
ID = 4608 # Bonds = 49 27-<i>O</i>-demethyl-25-<i>O</i>-desacetyl-rifamycin SV
ID = 10247 # Bonds = 49 rifamycin W
ID = 634 # Bonds = 49 malvidin 3-<i>O</i>-rutinoside
ID = 9411 # Bonds = 49 azinomycin B
ID = 3157 # Bonds = 49 mycothiol-bimane conjugate
ID = 2249 # Bonds = 49 2,3,16-triacetate-15-oxo-23,24-dihydroxycucurbitacin
ID = 5779 # Bonds = 49 viomycin
ID = 4715 # Bonds = 49 actinorhodin intermediate
ID = 11792 # Bonds = 49 2,3-bis-<i>O</i>-phytanyl-<i>sn</i>-glycerol 1-phosphate
ID = 8113 # Bonds = 49 ginsenoside Rh1
ID = 96 # Bonds = 49 8-demethyl-8-(2,3-O-dimethyl-α-L-rhamnosyl)-tetracenomycin C
ID = 2407 # Bonds = 49 ginsenoside F1
ID = 9629 # Bonds = 49 27-<i>O</i>-demethyl-25-<i>O</i>-desacetyl-rifamycin S
ID = 75 # Bonds = 49 microginin 690
ID = 6461 # Bonds = 49 enviomycin
ID = 7193 # Bonds = 49 β-L-arabinofuranosyl-(1→2)-β-L-arabinofuranosyl-(1→2)-β-L-arabinofuranosyl-(1→2)-β-L-arabinofuranosyl-hydroxyproline
ID = 3653 # Bonds = 49 1,2-dipalmitoyl-phosphatidylcholine
ID = 7573 # Bonds = 49 acetyl-methanofuran b
ID = 756 # Bonds = 49 corilagin
ID = 1740 # Bonds = 49 mycinamicin VI
ID = 8573 # Bonds = 49 20,21-diprenylterpendole I
ID = 7618 # Bonds = 49 fumonisin B<sub>1</sub>
ID = 5702 # Bonds = 49 1-[18-hydroxyoeoyl]-2-[18-hydroxy-lioleoyl]-<i>sn</i>-glycerol 3-phosphate
ID = 5174 # Bonds = 50 methionaquinone-<i>7</i>
ID = 11032 # Bonds = 50 dalpatein 7-O-β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside
ID = 11716 # Bonds = 50 thermoplasmaquinone-<i>7</i>
ID = 9331 # Bonds = 50 12-demethyl-elloramycin
ID = 8450 # Bonds = 50 apicidin J
ID = 3327 # Bonds = 50 rifamycin W hemiacetal
ID = 2272 # Bonds = 50 cyclic di-3',5'-adenylate
ID = 1954 # Bonds = 50 tuberactinomycin A
ID = 3486 # Bonds = 50 pimaricin
ID = 10992 # Bonds = 50 apicidin K
ID = 11588 # Bonds = 50 mycinamicin III
ID = 11710 # Bonds = 50 1-18:1-2-18:1-phosphatidylethanolamine
ID = 2710 # Bonds = 50 dalnigrein 7-O-β-D-apiofuranosyl-(1-6)-β-D-glucopyranoside
ID = 2997 # Bonds = 50 cholesteryl oleate
ID = 9985 # Bonds = 50 red chlorophyll catabolite
ID = 8773 # Bonds = 50 castalin
ID = 1662 # Bonds = 50 dihydrostreptomycin 3'-α-6-bisphosphate
ID = 148 # Bonds = 50 ceramide D (C26)
ID = 5781 # Bonds = 50 Gal-1→2-(GlcUA-1→2)-Man-1→3-Gal
ID = 10893 # Bonds = 50 soyasapogenol E 3-<i>O</i>-β-glucuronate
ID = 4187 # Bonds = 50 primary fluorescent chlorophyll catabolite
ID = 3945 # Bonds = 51 mycinamicin IV
ID = 4233 # Bonds = 51 bisanhydrobacterioruberin
ID = 754 # Bonds = 51 erythromycin D
ID = 5161 # Bonds = 51 UDP-<i>N</i>-acetyl-α-D-muramoyl-L-alanine
ID = 6194 # Bonds = 51 lacto-<i>N</i>-neotetraose
ID = 11256 # Bonds = 51 apicidin F
ID = 11168 # Bonds = 51 fuscicoccin A
ID = 11315 # Bonds = 51 (+)-secoisolariciresinol diglucoside
ID = 1188 # Bonds = 51 (2,3-dihydroxybenzoylserine)<sub>3</sub>
ID = 9881 # Bonds = 51 acarbose 7<sup>IV</sup>-phosphate
ID = 6819 # Bonds = 51 actinorhodin
ID = 5230 # Bonds = 51 elloramycin
ID = 7294 # Bonds = 51 oleandomycin
ID = 3700 # Bonds = 51 ionomycin
ID = 7859 # Bonds = 51 1-16:0-2-18:1-phosphatidylcholine
ID = 9858 # Bonds = 51 ergosteryl oleate
ID = 8614 # Bonds = 51 cyclic Gp(2'-5')Ap(3'-5')
ID = 9346 # Bonds = 51 soyasapogenol A 3-<i>O</i>-β-glucuronate
ID = 2862 # Bonds = 51 N-acetylmuramoyl-L-ala-D-glu-(L)-<i>meso</i>-diaminopimelate -(L)-D-ala
ID = 10080 # Bonds = 51 1-palmitoyl-2-linoleoyl-phosphatidylcholine
ID = 179 # Bonds = 51 13-[O(2')-β-D-glucopyranosyl-β-D-glucopyranosyloxy]docosanoate O(6'')-acetate
ID = 9305 # Bonds = 51 lacto-<i>N</i>-tetraose
ID = 1291 # Bonds = 51 enterobactin
ID = 7357 # Bonds = 51 dihydrobisanhydrobacterioruberin
ID = 9849 # Bonds = 51 1-16:0-2-18:3-phosphatidylcholine
ID = 9166 # Bonds = 52 saturated archaetidylethanolamine
ID = 8855 # Bonds = 52 etopophos
ID = 9419 # Bonds = 52 carmabin A
ID = 6200 # Bonds = 52 coproporphyrinogen III
ID = 3633 # Bonds = 52 7,8-dihydrofolate triglutamate
ID = 3776 # Bonds = 52 novclobiocin 101
ID = 4389 # Bonds = 52 coproporphyrinogen I
ID = 556 # Bonds = 52 pteroyl-γ-glutamyl-γ-glutamylglutamate
ID = 2087 # Bonds = 52 erythromycin B
ID = 9710 # Bonds = 52 unsaturated archaetidylethanolamine
ID = 10923 # Bonds = 52 mycinamicin V
ID = 745 # Bonds = 52 monoanhydrobacterioruberin
ID = 862 # Bonds = 52 27-<i>O</i>-demethyl-rifamycin SV
ID = 6516 # Bonds = 52 chalcomycin
ID = 7063 # Bonds = 52 coproporphyrin III
ID = 1306 # Bonds = 52 erythromycin C
ID = 7942 # Bonds = 52 3-demethylubiquinol-<i>8</i>
ID = 4836 # Bonds = 52 coproporphyrin I
ID = 3906 # Bonds = 53 1-18:2-2-18:2-sn-glycerol-3-phosphocholine
ID = 10761 # Bonds = 53 1-18:3-2-16:2-monogalactosyldiacylglycerol
ID = 10760 # Bonds = 53 1-18:1-2-18:2-phosphatidylcholine
ID = 4766 # Bonds = 53 1-18:3-2-16:1-monogalactosyldiacylglycerol
ID = 1482 # Bonds = 53 1-18:3-2-18:2-phosphatidylcholine
ID = 7346 # Bonds = 53 1-18:2-2-16:0-monogalactosyldiacylglycerol
ID = 10629 # Bonds = 53 decarboxy-dehydroxy-demycosaminyl-nystatin
ID = 3688 # Bonds = 53 (2-{[2,3-bis(octadecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium
ID = 7338 # Bonds = 53 2-(<i>all-trans</i>-nonaprenyl)benzene-1,4-diol
ID = 4988 # Bonds = 53 1-18:2-2-18:3-phosphatidylcholine
ID = 9181 # Bonds = 53 1-18:2-2-16:3-monogalactosyldiacylglycerol
ID = 1220 # Bonds = 53 lanosteryl oleate
ID = 1506 # Bonds = 53 1-18:1-2-16:2-monogalactosyldiacylglycerol
ID = 11146 # Bonds = 53 1-18:2-2-16:1-monogalactosyldiacylglycerol
ID = 5232 # Bonds = 53 1-18:1-2-18:1-sn-glycerol-3-phosphocholine
ID = 2989 # Bonds = 53 1-18:2-2-18:1-phosphatidylcholine
ID = 11167 # Bonds = 53 1-18:3-2-18:1-phosphatidylcholine
ID = 6997 # Bonds = 53 erythromycin A
ID = 9068 # Bonds = 53 teniposide
ID = 6793 # Bonds = 53 1-18:1-2-16:0-monogalactosyldiacylglycerol
ID = 6755 # Bonds = 53 1-18:1-2-16:3-monogalactosyldiacylglycerol
ID = 6020 # Bonds = 53 lolitriol
ID = 7425 # Bonds = 53 1-18:2-2-16:2-monogalactosyldiacylglycerol
ID = 8917 # Bonds = 53 1-18:3-2-16:0-monogalactosyldiacylglycerol
ID = 7915 # Bonds = 53 O-phosphoviomycin
ID = 7780 # Bonds = 53 novclobiocin 102
ID = 1980 # Bonds = 53 1-18:1-2-18:3-phosphatidylcholine
ID = 8143 # Bonds = 53 rifamycin SV
ID = 213 # Bonds = 53 mycinamicin I
ID = 6426 # Bonds = 53 1-18:3-2-16:3-monogalactosyldiacylglycerol
ID = 2534 # Bonds = 53 1-18:3-2-18:3-phosphatidylcholine
ID = 7801 # Bonds = 53 bacterioruberin
ID = 2203 # Bonds = 53 1-18:1-2-16:1-monogalactosyldiacylglycerol
ID = 4288 # Bonds = 53 tunicamycin
ID = 7498 # Bonds = 53 1-palmitoyl-2-vernoloyl-phosphatidylcholine
ID = 9310 # Bonds = 54 saturated archaetidylglycerol
ID = 5491 # Bonds = 54 demethyllactenocin
ID = 5427 # Bonds = 54 (+)-neocarzinostatin chromophore
ID = 5900 # Bonds = 54 carboxymethyl-CoA
ID = 4318 # Bonds = 54 propanoyl-CoA
ID = 2357 # Bonds = 54 mycinamicin II
ID = 3041 # Bonds = 54 azithromycin
ID = 2425 # Bonds = 54 20,21-diprenylterpendole J
ID = 4825 # Bonds = 54 13-sophorosyloxydocosanoate 6',6''-diacetate
ID = 1471 # Bonds = 54 5-formyl-tetrahydrofolate tri-L-glutamate
ID = 11081 # Bonds = 54 acryloyl-CoA
ID = 11556 # Bonds = 54 fluoroacetyl-CoA
ID = 9667 # Bonds = 54 dihydromenaquinone-<i>8</i>
ID = 11862 # Bonds = 54 clarithromycin
ID = 555 # Bonds = 54 decarboxy-demycosaminyl-nystatin
ID = 3242 # Bonds = 54 UDP-3-<i>O</i>-(3-hydroxymyristoyl)-α-D-glucosamine
ID = 1919 # Bonds = 54 methanofuran a
ID = 8005 # Bonds = 54 10-formyl-tetrahydrofolate tri-L-glutamate
ID = 5327 # Bonds = 55 3,5-di-<i>O</i>-(β-glucopyranosyl) cyanidin 6\-<i>O</i>-4,6\"'-<i>O</i>-1-cyclic malate"
ID = 5842 # Bonds = 55 <i>p</i>-nitrophenyl-chitotriose
ID = 2182 # Bonds = 55 (<i>R</i>)-lactoyl-CoA
ID = 4126 # Bonds = 55 3-oxopropanoyl-CoA
ID = 8375 # Bonds = 55 vinylacetyl-CoA
ID = 118 # Bonds = 55 1-18:3-2-18:3-monogalactosyldiacylglycerol
ID = 5518 # Bonds = 55 1-18:2-2-18:3-monogalactosyldiacylglycerol
ID = 6697 # Bonds = 55 oxidized coenzyme F<sub>420</sub>-2
ID = 3370 # Bonds = 55 20,21-diprenylterpendole C
ID = 6292 # Bonds = 55 (<i>S</i>)-lactoyl-CoA
ID = 5719 # Bonds = 55 [1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl-(4-aminophenyl)-1-deoxy-5-[1-α -D- ribofuranosyl triphosphate]-D-ribitol
ID = 3307 # Bonds = 55 methylacrylyl-CoA
ID = 8714 # Bonds = 55 3-hydroxypropanoyl-CoA
ID = 5547 # Bonds = 55 C55 dolichol
ID = 5129 # Bonds = 55 lactenocin
ID = 5938 # Bonds = 55 saturated archaetidylserine
ID = 7404 # Bonds = 55 1-18:3-2-18:2-monogalactosyldiacylglycerol
ID = 7403 # Bonds = 55 streptothricin D
ID = 1525 # Bonds = 55 crotonyl-CoA
ID = 2632 # Bonds = 55 oxalyl-CoA
ID = 4600 # Bonds = 55 1-18:2-2-18:2-monogalactosyldiacylglycerol
ID = 1475 # Bonds = 55 β-alanyl-CoA
ID = 9475 # Bonds = 55 isobutanoyl-CoA
ID = 4883 # Bonds = 55 β-thiogardideazafolate
ID = 1301 # Bonds = 55 oleandomycin 2'-O-phosphate
ID = 8298 # Bonds = 55 aclacinomycin S
ID = 8535 # Bonds = 55 deoxymyxol 2'-dimethyl-fucoside
ID = 8485 # Bonds = 55 carfilzomib
ID = 7058 # Bonds = 55 reduced coenzyme F<sub>420</sub>-2
ID = 1174 # Bonds = 55 methanofuran c
ID = 3543 # Bonds = 55 streptothricin D acid
ID = 11854 # Bonds = 55 butanoyl-CoA
ID = 1143 # Bonds = 55 unsaturated archaetidylserine
ID = 4660 # Bonds = 55 1-18:1-2-18:3-monogalactosyldiacylglycerol
ID = 11727 # Bonds = 55 dipalmitoyl-L-1-phosphatidyl-inositol
ID = 8313 # Bonds = 55 erythromycin E
ID = 7229 # Bonds = 56 ketobutyryl-CoA
ID = 3276 # Bonds = 56 desmycosin
ID = 4563 # Bonds = 56 (<i>S</i>)-3-hydroxy-isobutanoyl-CoA
ID = 3339 # Bonds = 56 (<i>R</i>)-2-hydroxybutanoyl-CoA
ID = 4536 # Bonds = 56 demycosaminyl-nystatin
ID = 5381 # Bonds = 56 OH-crotonyl-CoA
ID = 4995 # Bonds = 56 hyaluronate tetrasaccharide
ID = 7972 # Bonds = 56 4-aminobutanoyl-coA
ID = 4851 # Bonds = 56 |malonyl-CoA|
ID = 9075 # Bonds = 56 (<i>S</i>)-3-aminobutanoyl-CoA
ID = 9977 # Bonds = 56 lividomycin A
ID = 11496 # Bonds = 56 3-methylcrotonyl-CoA
ID = 630 # Bonds = 56 |isovaleryl-CoA|
ID = 705 # Bonds = 56 pentanoyl-CoA
ID = 11439 # Bonds = 56 nodularin V
ID = 11376 # Bonds = 56 (<i>E</i>)-2-methylcrotonoyl-CoA
ID = 9799 # Bonds = 56 malonamoyl-CoA
ID = 2198 # Bonds = 56 2-methylbutanoyl-CoA
ID = 11015 # Bonds = 56 myxol 2'-dimethyl-fucoside
ID = 3142 # Bonds = 56 3-(methylthio)propionyl-CoA
ID = 10712 # Bonds = 56 formyl-methanofuran a
ID = 9380 # Bonds = 56 nostocyclopeptide A1
ID = 3184 # Bonds = 56 (<i>R</i>)-3-hydroxy-isobututanoyl-CoA
ID = 10465 # Bonds = 56 4-chloro-crotonyl-CoA
ID = 1489 # Bonds = 56 3-(methylthio)acryloyl-CoA
ID = 10455 # Bonds = 56 4-hydroxybutanoyl-CoA
ID = 1515 # Bonds = 57 sorbyl-CoA
ID = 685 # Bonds = 57 spinosyn A
ID = 5618 # Bonds = 57 3-hydroxy-3-(methylthio)propanoyl-CoA
ID = 6734 # Bonds = 57 <i>trans</i>-hex-2-enoyl-CoA
ID = 11487 # Bonds = 57 (R)-methylmalonyl-CoA
ID = 10130 # Bonds = 57 5-hydroxypentanoyl-CoA
ID = 2434 # Bonds = 57 1-16:0-2-18:2-phosphatidylinositol
ID = 5672 # Bonds = 57 zaragozic acid C
ID = 5706 # Bonds = 57 1-20:0-2-18:3-monogalactosyldiacylglycerol
ID = 9543 # Bonds = 57 5-hexenoyl-CoA
ID = 9534 # Bonds = 57 UDP-3-<i>O</i>-[(3<i>R</i>)-3-hydroxymyristoyl]-<i>N</i>-acetyl-α-D-glucosamine
ID = 9508 # Bonds = 57 4-methylpent-2-enoyl-CoA
ID = 3772 # Bonds = 57 2-methyl-3-hydroxybutyryl-CoA
ID = 6607 # Bonds = 57 β-ketovaleryl-CoA
ID = 7631 # Bonds = 57 1-20:2-2-18:2-monogalactosyldiacylglycerol
ID = 11516 # Bonds = 57 4-chloro-3-hydroxybutyryl-CoA
ID = 1507 # Bonds = 57 1-16:0-2-18:3-phosphatidylinositol
ID = 11307 # Bonds = 57 glutathionylspermidine disulfide
ID = 1986 # Bonds = 57 cyanophycin primer
ID = 10631 # Bonds = 57 formyl-methanofuran c
ID = 1257 # Bonds = 57 hexanoyl-CoA
ID = 10878 # Bonds = 57 1-20:2-2-18:3-monogalactosyldiacylglycerol
ID = 5036 # Bonds = 57 cyanidin 3-<i>O</i>-(6-<i>O</i>-β-D-glucosyl-2-<i>O</i>-β-D-xylosyl-β-D-galactoside)
ID = 10106 # Bonds = 57 quercetin 3-<i>O</i>-{β-L-rhamnosyl-(1->6)]-β-D-glucoside}
ID = 10996 # Bonds = 57 succinyl-CoA
ID = 719 # Bonds = 57 (<i>R</i>)-3-hydroxyvaleryl-CoA
ID = 7734 # Bonds = 57 (S)-methylmalonyl-CoA
ID = 4201 # Bonds = 57 malonyl-CoA methyl ester
ID = 1043 # Bonds = 57 isovitexin-7-O-glucosyl-2''O-rhamnoside
ID = 7939 # Bonds = 57 sulfoacetyl-CoA
ID = 2725 # Bonds = 57 rifamycin B
ID = 2220 # Bonds = 57 cyanidin 3-<i>O</i>-glucoside-7-<i>O</i>-(6-<i>O</i>-(p-hydroxybenzoyl)-glucoside)
ID = 2225 # Bonds = 57 3-hydroxyisovaleryl-CoA
ID = 10253 # Bonds = 57 3-<i>cis</i>-hexenoyl-CoA
ID = 10039 # Bonds = 57 acetyl-methanofuran a
ID = 1557 # Bonds = 57 6-(L-threonyl)-2-acetamido-2-deoxy-β-uronatemannosyl-(β1→4)-2,3-diacetamido-2,3-dideoxy-α-D-uronateglucosyl-(β1→3)-<i>N</i>-acetyl-α-D-glucosamine
ID = 8095 # Bonds = 57 1-16:1-2-18:3-phosphatidylinositol
ID = 8454 # Bonds = 57 3-hydroxy-pentanoyl-CoA
ID = 79 # Bonds = 57 3-sulfinopropanoyl-CoA
ID = 6432 # Bonds = 57 2-methylvaleryl-CoA
ID = 8710 # Bonds = 57 <i>N</i><sup>5</sup>-methyltetrahydromethanopterin
ID = 9060 # Bonds = 57 1-16:0-2-18:1-phosphatidylinositol
ID = 3085 # Bonds = 57 1-20:3-2-18:3-monogalactosyldiacylglycerol
ID = 9217 # Bonds = 57 1-20:1-2-18:3-monogalactosyldiacylglycerol
ID = 2837 # Bonds = 57 UDP-<i>N</i>-acetyl-6-(α-D-galactose-1-phospho)-α-D-glucosamine
ID = 6542 # Bonds = 57 isocaproyl-CoA
ID = 7533 # Bonds = 57 1-20:1-2-18:2-monogalactosyldiacylglycerol
ID = 11175 # Bonds = 58 2-methylfumaryl-CoA
ID = 8965 # Bonds = 58 spinosyn D
ID = 10281 # Bonds = 58 (2<i>S</i>)-ethylmalonyl-CoA
ID = 11852 # Bonds = 58 6-hydroxy-3-hexenoyl-CoA
ID = 2314 # Bonds = 58 <i>p</i>-nitrophenyl-β-D-cellotetraoside
ID = 6492 # Bonds = 58 GXGG xyloglucan oligosaccharide
ID = 7298 # Bonds = 58 5-aminolevulinyl-CoA
ID = 7296 # Bonds = 58 (<i>R</i>)-3-hydroxyhexanoyl-CoA
ID = 6488 # Bonds = 58 ginsenoside C-Y
ID = 10707 # Bonds = 58 <i>cis</i>-3,4-dehydroadipyl-CoA semialdehyde
ID = 4005 # Bonds = 58 cyanidin-3-<i>O</i>-rutinoside-5-<i>O</i>-β-D-glucoside
ID = 7680 # Bonds = 58 kaempferol 3-<i>O</i>-rhamnosyl(1->2)glucoside-7-<i>O</i>-rhamnoside
ID = 803 # Bonds = 58 (<i>S</i>)-3-hydroxyhexanoyl-CoA
ID = 1264 # Bonds = 58 ginsenoside Mx
ID = 8824 # Bonds = 58 (2<i>R</i>)-ethylmalonyl-CoA
ID = 4303 # Bonds = 58 3-methylfumaryl-CoA
ID = 6916 # Bonds = 58 acetyl-methanofuran c
ID = 2003 # Bonds = 58 lolitrem E
ID = 114 # Bonds = 58 glutaryl-CoA
ID = 4105 # Bonds = 58 <i>N</i>-debenzoyl-(3'-<i>RS</i>)-2'-deoxytaxol
ID = 5326 # Bonds = 58 (<i>R</i>)-2-hydroxy-4-methylpentanoyl-CoA
ID = 5146 # Bonds = 58 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
ID = 8734 # Bonds = 58 kaempferol-3-O-gentiobioside-7-O-rhamnoside
ID = 7835 # Bonds = 58 (<i>S</i>)-malyl-CoA
ID = 460 # Bonds = 58 3-<i>O</i>-α-L-rhamnosyl-(1→4)-β-D-glucosyl-diosgenin
ID = 4176 # Bonds = 58 thiophene-2-carbonyl-CoA
ID = 11619 # Bonds = 58 itaconyl-CoA
ID = 6685 # Bonds = 58 ginsenoside Mc
ID = 9628 # Bonds = 58 (2S)-methylsuccinyl-CoA
ID = 37 # Bonds = 58 (<i>E</i>)-glutaconyl-CoA
ID = 2620 # Bonds = 58 5-methylhex-4-enoyl-CoA
ID = 8358 # Bonds = 58 rifamycin-O
ID = 3755 # Bonds = 58 3-oxohexanoyl-CoA
ID = 2588 # Bonds = 58 (2<i>E</i>)-5-methylhexa-2,4-dienoyl-CoA
ID = 9336 # Bonds = 58 heptanoyl-CoA
ID = 4560 # Bonds = 58 2-furoyl-CoA
ID = 6532 # Bonds = 58 (<i>R</i>)-malyl-CoA
ID = 1573 # Bonds = 58 archaetidylglycerol phosphate
ID = 8265 # Bonds = 58 symplostatin 1
ID = 5864 # Bonds = 58 5-formyl-tetrahydromethanopterin
ID = 7497 # Bonds = 59 trans-2,3-dehydroadipyl-coA
ID = 4316 # Bonds = 59 (3<i>R</i>)-citramalyl-CoA
ID = 4272 # Bonds = 59 S-(5-hydroxy-2-furoyl)-CoA
ID = 448 # Bonds = 59 cyclohex-1-ene-1-carbonyl-CoA
ID = 8948 # Bonds = 59 echinocandin B nucleus
ID = 4243 # Bonds = 59 1-18:0-2-18:3-phosphatidylinositol
ID = 6581 # Bonds = 59 <i>trans</i>-oct-2-enoyl-CoA
ID = 3446 # Bonds = 59 II-dihydromenaquinol-9
ID = 2119 # Bonds = 59 cellopentaose
ID = 10107 # Bonds = 59 midecamycin
ID = 1262 # Bonds = 59 delphinidin 3-<i>O</i>-rutinoside-7-<i>O</i>-glucoside
ID = 3 # Bonds = 59 3-hydroxy-5-methylhex-4-enoyl-CoA
ID = 10773 # Bonds = 59 chloroethylmalonyl-CoA
ID = 4708 # Bonds = 59 1-18:3-2-18:3-phosphatidylinositol
ID = 4493 # Bonds = 59 cyclohexane-1-carbonyl-CoA
ID = 64 # Bonds = 59 5-hydroxythiophene-2-carbonyl-CoA
ID = 1857 # Bonds = 59 kaempferol 3-<i>O</i>-β-<i>D</i>-glucosyl-(1->2)-glucosyl-(1->2)-β-<i>D</i>-glucoside
ID = 8986 # Bonds = 59 oxidized reactive black 5
ID = 10217 # Bonds = 59 3-hydroxy-5- oxohexanoyl-CoA
ID = 11022 # Bonds = 59 <i>cis</i>-3,4-dehydroadipyl-CoA
ID = 3162 # Bonds = 59 cyclohex-1,5-diene-1-carbonyl-CoA
ID = 10212 # Bonds = 59 C55 dolichol phosphate
ID = 8999 # Bonds = 59 bisdemalonylsalvianin
ID = 4663 # Bonds = 59 lolitrem B
ID = 1563 # Bonds = 59 3-<i>cis</i>-octenoyl-CoA
ID = 6389 # Bonds = 59 1-18:0-2-18:1-phosphatidylinositol
ID = 1361 # Bonds = 59 β-D-gentiobiosyl β-D-glucosyl crocetin
ID = 10370 # Bonds = 59 1-18:2-2-18:3-phosphatidylinositol
ID = 7604 # Bonds = 59 torvoside M
ID = 10610 # Bonds = 59 (2<i>R</i>,3<i>S</i>)-β-methylmalyl-CoA
ID = 4744 # Bonds = 59 4-acetamidobutanoyl-CoA
ID = 466 # Bonds = 59 1-18:1-2-18:2-phosphatidylinositol
ID = 9103 # Bonds = 59 1-18:0-2-18:2-phosphatidylinositol
ID = 283 # Bonds = 59 3-methylglutaconyl-CoA
ID = 3601 # Bonds = 59 pppGp(2'-5')A
ID = 3846 # Bonds = 59 ω-saturated C55 dolichol phosphate
ID = 5486 # Bonds = 59 <i>N</i>-debenzoyl-(3'-<i>RS</i>)-taxol
ID = 5952 # Bonds = 59 octanoyl-CoA
ID = 9403 # Bonds = 59 quercetin-3-O-[glucosyl(1->6)glucoside]-7-O-rhamnoside
ID = 3499 # Bonds = 59 5-methyl-3-oxo-4-hexenoyl-CoA
ID = 2293 # Bonds = 59 dipalmitoyl-1-phosphatidyl-1D-<i>myo</i>-inositol 4-phosphate
ID = 3502 # Bonds = 59 II-dihydromenaquinone-9
ID = 2945 # Bonds = 59 schizopeptin 791
ID = 9155 # Bonds = 59 pelargonidin-3,5-diglucoside-5-O-caffeoylglucoside
ID = 5549 # Bonds = 59 2-oxoglutaryl-CoA
ID = 1643 # Bonds = 59 (2Z)-2-hydroxypent-2-enedioyl-CoA
ID = 5559 # Bonds = 59 1-18:1-2-18:3-phosphatidylinositol
ID = 672 # Bonds = 59 kaempferide triglycoside
ID = 4033 # Bonds = 59 (R)-2-hydroxyglutaryl-CoA
ID = 4047 # Bonds = 59 quercetin 3-<i>O</i>-rhamnosyl(1->2)glucoside-7-<i>O</i>-rhamnoside
ID = 5612 # Bonds = 59 torvoside J
ID = 3698 # Bonds = 59 1-18:2-2-18:2-phosphatidylinositol
ID = 11086 # Bonds = 59 31-<i>O</i>-desmethylFK-506
ID = 3759 # Bonds = 59 bilirubin-glucuronoside
ID = 6588 # Bonds = 59 shisonin
ID = 2719 # Bonds = 59 (3<i>S</i>)-citramalyl-CoA
ID = 484 # Bonds = 59 5-oxo-2-furoyl-CoA
ID = 3728 # Bonds = 59 3-hydroxy-heptanoyl-CoA
ID = 8659 # Bonds = 59 kaempferol 3-<i>O</i>-(3\,6\"-<i>O</i>-di-<i>p</i>-coumaroyl)-glucoside"
ID = 441 # Bonds = 59 quercetin 3-<i>O</i>-gentiobioside-7-<i>O</i>-rhamnoside
ID = 838 # Bonds = 59 staphyloxanthin
ID = 915 # Bonds = 59 nogalamycin
ID = 433 # Bonds = 59 2,3-didehydroadipyl-CoA
ID = 853 # Bonds = 59 kaempferol 3-<i>O</i>-(4\,6\"-<i>O</i>-di-<i>p</i>-coumaroyl)-glucoside"
ID = 2178 # Bonds = 59 acyl phosphatidylglycerol (n-C14:0)
ID = 2518 # Bonds = 59 reduced reactive black 5
ID = 465 # Bonds = 60 phenylacetyl-CoA
ID = 5668 # Bonds = 60 6-carboxyhex-2-enoyl-CoA
ID = 5907 # Bonds = 60 2-<i>trans</i>-nonenoyl-CoA
ID = 6625 # Bonds = 60 ginsenoside Rg2
ID = 6303 # Bonds = 60 verbascose
ID = 5959 # Bonds = 60 quercetin-3-gentiotrioside
ID = 5664 # Bonds = 60 3-oxoadipyl-CoA
ID = 7050 # Bonds = 60 stellariose
ID = 6873 # Bonds = 60 3-oxooctanoyl-CoA
ID = 6091 # Bonds = 60 quercetin 3-<i>O</i>-(3',6\-<i>O</i>-di-<i>p</i>-coumaroyl)-glucoside"
ID = 11160 # Bonds = 60 anthraniloyl-CoA
ID = 5251 # Bonds = 60 FK-506
ID = 1104 # Bonds = 60 (S)-3-hydroxyoctanoyl-CoA
ID = 6421 # Bonds = 60 gypenoside LXXV
ID = 5135 # Bonds = 60 (20<i>S</i>)-ginsenoside Rg3
ID = 323 # Bonds = 60 (<i>R</i>)-3-hydroxyoctanoyl-CoA
ID = 6569 # Bonds = 60 nonanoyl-CoA
ID = 5376 # Bonds = 60 salicyloyl-CoA
ID = 831 # Bonds = 60 2-hydroxy-cyclohexane-1-carbonyl-CoA
ID = 11702 # Bonds = 60 C60 dolichol
ID = 10784 # Bonds = 60 3,6-lactone of 3-hydroxyadinyl-CoA
ID = 11839 # Bonds = 60 DDP-N-acetylmuramoyl-L-alanyl-D-glutamate
ID = 11293 # Bonds = 60 nostocyclopeptide A2
ID = 894 # Bonds = 60 (<i>S</i>)-3-hydroxy-3-methylglutaryl-CoA
ID = 11191 # Bonds = 60 4-hydroxybenzoyl-CoA
ID = 6334 # Bonds = 60 UDP-<i>N</i>-acetyl-α-D-muramoyl-L-alanyl-D-glutamate
ID = 2709 # Bonds = 60 6-oxocyclohex-1-ene-1-carbonyl-CoA
ID = 9209 # Bonds = 60 maltopentaose
ID = 10199 # Bonds = 60 quercetin 3-<i>O</i>-β-<i>D</i>-glucosyl-(1->2)-glucosyl-(1->2)-β-<i>D</i>-glucoside
ID = 7782 # Bonds = 60 nodularin
ID = 9425 # Bonds = 60 pimeloyl-CoA
ID = 2640 # Bonds = 60 (20R)-ginsenoside Rg3
ID = 2463 # Bonds = 60 ginsenoside F2
ID = 9197 # Bonds = 60 N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramyl-tripeptide
ID = 8228 # Bonds = 60 1-methylpyrrolidine-2-acetyl-CoA
ID = 2353 # Bonds = 60 3-hydroxyadipyl-CoA
ID = 4219 # Bonds = 60 6-hydroxycyclohex-1-ene-1-carbonyl-CoA
ID = 2305 # Bonds = 60 4-chlorobenzoyl-coA
ID = 8036 # Bonds = 60 josamycin
ID = 3999 # Bonds = 60 4-methylcyclohex-1,5-diene-1-carbonyl-CoA
ID = 2151 # Bonds = 60 2-ketocyclohexane-1-carbonyl-CoA
ID = 9651 # Bonds = 60 4-aminobenzoyl-CoA
ID = 4394 # Bonds = 60 roxithromycin
ID = 7949 # Bonds = 60 6-methyloctanoyl-CoA
ID = 8772 # Bonds = 60 4-methylbenzoyl-CoA
ID = 10304 # Bonds = 60 4-bromobenzoyl-CoA
ID = 8787 # Bonds = 60 4-iodobenzoyl-CoA
ID = 4499 # Bonds = 60 3-methylbenzoyl-CoA
ID = 4496 # Bonds = 60 3-hydroxybenzoyl-CoA
ID = 7576 # Bonds = 60 delphinidin 3,3',5-tri-<i>O</i>-β-D-glucoside
ID = 3224 # Bonds = 60 1,2,3,6-tetrakis-O-galloyl-β-D-glucose
ID = 7885 # Bonds = 61 kaempferol 3-<i>O</i>-(3\-<i>O</i>-<i>p</i>-coumaroyl, 6\"-<i>O</i>-feruloyl)-glucoside"
ID = 2396 # Bonds = 61 4-methyl-3-oxoadipyl-CoA
ID = 1130 # Bonds = 61 2-oxepin-2(3H)-ylideneacetyl-CoA
ID = 4734 # Bonds = 61 3-<i>cis</i>-decenoyl-CoA
ID = 5107 # Bonds = 61 phenylglyoxylyl-CoA
ID = 550 # Bonds = 61 citronellyll-CoA
ID = 182 # Bonds = 61 gentisyl-CoA
ID = 2571 # Bonds = 61 3-oxopimeloyl-CoA
ID = 5642 # Bonds = 61 3-hydroxyphenylacetyl-CoA
ID = 10953 # Bonds = 61 7-methyl-3-oxooct-6-enoyl-CoA
ID = 5 # Bonds = 61 decanoyl-CoA
ID = 5597 # Bonds = 61 <i>N</i>-acetyl-D-glucosaminyl-<i>N</i>-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine
ID = 9735 # Bonds = 61 (1-hydroxycyclohexan-1-yl)acetyl-CoA
ID = 8102 # Bonds = 61 3-hydroxy-nonanoyl-CoA
ID = 8057 # Bonds = 61 <i>cis</i>-geranyl-CoA
ID = 10464 # Bonds = 61 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA
ID = 11151 # Bonds = 61 inositol phosphoceramide A (C24)
ID = 9993 # Bonds = 61 2,3-dihydro-2,3-dihydroxybenzoyl-CoA
ID = 7541 # Bonds = 61 3-phenylpropanoyl-CoA
ID = 2141 # Bonds = 61 <i>trans</i>-dec-2-enoyl-CoA
ID = 7984 # Bonds = 61 trans,trans-2,4-decadienoyl-CoA
ID = 1251 # Bonds = 61 3-oxo-5,6-didehydrosuberyl-CoA semialdehyde
ID = 8344 # Bonds = 61 3-hydroxypimeloyl-CoA
ID = 4261 # Bonds = 61 ginsenoside Rf
ID = 4006 # Bonds = 61 2,4-dichlorobenzoyl-CoA
ID = 1449 # Bonds = 61 isoniazid-NADP
ID = 365 # Bonds = 61 tetrahydropteroyl tetra-L-glutamate
ID = 7384 # Bonds = 61 10-decarboxymethyl, 10-hydroxyaclacinomycin A
ID = 293 # Bonds = 61 (<i>E</i>)-cinnamoyl-CoA
ID = 10209 # Bonds = 61 (<i>Z</i>)-cinnamoyl-CoA
ID = 8532 # Bonds = 61 saturated archaetidylinositol
ID = 11693 # Bonds = 61 trans-Δ<SUP>2</SUP>, cis-Δ<SUP>4</SUP>-decadienoyl-CoA
ID = 6343 # Bonds = 61 ginsenoside Rg1
ID = 10765 # Bonds = 61 nostocyclopeptide A3
ID = 354 # Bonds = 61 4-hydroxyphenylacetyl-CoA
ID = 6505 # Bonds = 61 unsaturated archaetidylinositol
ID = 9379 # Bonds = 61 mycobactin S
ID = 1293 # Bonds = 61 <i>N</i>-methylanthraniloyl-CoA
ID = 205 # Bonds = 61 7-methyl-3-oxooctanoyl-CoA
ID = 8400 # Bonds = 61 delphinidin 3-<i>O</i>-glucosyl-5-<i>O</i>-caffeoylglucoside
ID = 11236 # Bonds = 61 2-amino-5-oxocyclohex-1-enecarboxyl-CoA
ID = 3088 # Bonds = 61 isorhamnetin 3-<i>O</i>-(3\,6\"-<i>O</i>-di-<i>p</i>-coumaroyl)-glucoside"
ID = 6498 # Bonds = 61 3-<i>trans</i>-decenoyl-CoA
ID = 9836 # Bonds = 62 2-[(1R,6S)-1,6-dihydroxycyclohexa-2,4-dien-1-yl]acetyl-coA
ID = 11264 # Bonds = 62 (<i>S</i>)-3-hydroxydecanoyl-CoA
ID = 6483 # Bonds = 62 4-<i>cis</i>-undecenoyl-CoA
ID = 9138 # Bonds = 62 ecteinascidin 743
ID = 7979 # Bonds = 62 inositol phosphoceramide B' (C24)
ID = 6351 # Bonds = 62 5',5'''-diadenosine pentaphosphate
ID = 6883 # Bonds = 62 10-hydroxydecanoyl-CoA
ID = 2630 # Bonds = 62 2-<i>trans</i>, 4-<i>trans</i>-undecadienoyl-CoA
ID = 5595 # Bonds = 62 3-oxo-3-phenylpropanoyl-CoA
ID = 8149 # Bonds = 62 luteolin 7-<i>O</i>-[β-D-glucosyluronate-(1,2)-β-D-glucosiduronate]-4'-<i>O</i>-β-D-glucosiduronate
ID = 6601 # Bonds = 62 4-<i>trans</i>-undecenoyl-CoA
ID = 3346 # Bonds = 62 4-dihydrocoumaroyl-CoA
ID = 6731 # Bonds = 62 3,4-dihydroxyphenylacetyl-CoA
ID = 11755 # Bonds = 62 (3S)-3-isopropenyl-6-oxoheptanoyl-CoA
ID = 5856 # Bonds = 62 3-hydroxy-3-phenylpropanoyl-CoA
ID = 2412 # Bonds = 62 quercetin 3-<i>O</i>-(3\-<i>O</i>-<i>p</i>-coumaroyl, 6\"-<i>O</i>-feruloyl)-glucoside"
ID = 8475 # Bonds = 62 (3,5-dihydroxyphenyl)acetyl-CoA
ID = 3676 # Bonds = 62 soyasaponin III
ID = 505 # Bonds = 62 3-<i>trans</i>-undecenoyl-CoA
ID = 2580 # Bonds = 62 2-(1,2-epoxy-1,2-dihydrophenyl)acetyl-CoA
ID = 6195 # Bonds = 62 (1R,3R)-chrysanthemoyl CoA
ID = 5576 # Bonds = 62 oleanolate 3-β-D-glucuronoside-28-glucoside
ID = 11614 # Bonds = 62 (<i>R</i>)-phenyllactyl-CoA
ID = 1634 # Bonds = 62 2-<i>trans</i>-undecenoyl-CoA
ID = 8915 # Bonds = 62 4-carboxycyclohexanoyl-CoA
ID = 7305 # Bonds = 62 spiramycin
ID = 1994 # Bonds = 62 rebaudioside B
ID = 907 # Bonds = 62 A201A
ID = 7190 # Bonds = 62 (3<i>R</i>)-3-amino-3-phenylpropanoyl-CoA
ID = 2019 # Bonds = 62 (<i>R</i>)-3-hydroxydecanoyl-CoA
ID = 4960 # Bonds = 62 stevioside
ID = 1877 # Bonds = 62 3-oxo-5,6-didehydrosuberyl-CoA
ID = 10129 # Bonds = 62 4-coumaryl-CoA
ID = 11177 # Bonds = 62 3-oxodecanoyl-CoA
ID = 5133 # Bonds = 62 inositol phosphoceramide B (C24)
ID = 9996 # Bonds = 62 oleanolate 3-beta-D-glucuronoside-(3,1)-galactoside
ID = 10471 # Bonds = 62 2-<i>trans</i>, 4-<i>cis</i>-undecadienoyl-CoA
ID = 7142 # Bonds = 62 (3S)-citryl-CoA
ID = 10935 # Bonds = 62 cytochrome c
ID = 7048 # Bonds = 62 pedunculagin
ID = 10372 # Bonds = 62 carbomycin
ID = 4106 # Bonds = 62 antibiotic A 201A
ID = 10830 # Bonds = 62 (3R)-3-isopropenyl-6-oxoheptanoyl-CoA
ID = 11576 # Bonds = 63 <i>trans</i>-dodec-2-enoyl-CoA
ID = 5698 # Bonds = 63 4-<i>trans</i>-3-oxo-undecenoyl-CoA
ID = 1139 # Bonds = 63 [(1R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetyl-CoA
ID = 6672 # Bonds = 63 3,5-<i>cis</i>-dodecadienoyl-CoA
ID = 5825 # Bonds = 63 okadate
ID = 9240 # Bonds = 63 2-<i>trans</i>, 5-<i>trans</i>-dodecadienoyl-CoA
ID = 2832 # Bonds = 63 4-hydroxybenzoyl-acetyl-CoA
ID = 6264 # Bonds = 63 concanamycin A
ID = 7438 # Bonds = 63 inositol phosphoceramide C (C24)
ID = 8829 # Bonds = 63 ubiquinol-<i>10</i>
ID = 10353 # Bonds = 63 3-<i>cis</i>-dodecenoyl-CoA
ID = 9029 # Bonds = 63 (8<i>E</i>,10<i>E</i>)-dodeca-8,10-dienoyl-CoA
ID = 10535 # Bonds = 63 2,4-dihydroxycinnamoyl-CoA
ID = 3634 # Bonds = 63 premithramycin A4
ID = 6439 # Bonds = 63 3,5-dioxodecanoyl-CoA
ID = 4425 # Bonds = 63 3-<i>cis</i>, 5-<i>trans</i>-dodecadienoyl-CoA
ID = 3028 # Bonds = 63 cis-enol-3-oxomelilotoyl-CoA
ID = 298 # Bonds = 63 ubiquinone-<i>10</i>
ID = 1415 # Bonds = 63 C55 dolichol diphosphate
ID = 8551 # Bonds = 63 inositol phosphoceramide A (C26)
ID = 7272 # Bonds = 63 3-hydroxy-undecanoyl-CoA
ID = 4448 # Bonds = 63 isorhamnetin 3-<i>O</i>-(3\-<i>O</i>-<i>p</i>-coumaroyl, 6\"-<i>O</i>-feruloyl)-glucoside"
ID = 6692 # Bonds = 63 15-demethoxy-aclacinomycin A
ID = 6978 # Bonds = 63 glucosyl-oleandomycin
ID = 823 # Bonds = 63 caffeoyl-CoA
ID = 3939 # Bonds = 63 3-(4-hydroxyphenyl)-3-hydroxy-propanoyl-CoA
ID = 5389 # Bonds = 63 3-hydroxy, 4-<i>trans</i>-undecenoyl-CoA
ID = 5453 # Bonds = 63 monodeglucosyl des-acyl avenacin A
ID = 6890 # Bonds = 63 3-oxomelilotoyl-CoA
ID = 4256 # Bonds = 63 α-D-mannosyl-(1→3)-[(<i>N</i>-acetyl-α-D-glucosaminyl)-(1→2)]-α-D-mannosyl-(1→2)-α-D-mannosyl-(1→2)-D-mannose
ID = 5284 # Bonds = 63 5,10-methylenetetrahydropteroyl tetra-L-glutamate
ID = 9949 # Bonds = 63 (9<i>E</i>)-dodecenoyl-CoA
ID = 1105 # Bonds = 63 hydrocaffeoyl-CoA
ID = 11143 # Bonds = 63 lauroyl-CoA
ID = 7046 # Bonds = 63 4-(1-methyl-2-pyrrolidinyl)-3-oxobutanoyl-CoA
ID = 6757 # Bonds = 63 Δ<SUP>2,5</SUP>-3,4,4-trimethylpimeloyl-CoA
ID = 9826 # Bonds = 64 9-demethylpremithramycin A3
ID = 388 # Bonds = 64 7-hydroxylauroyl-CoA
ID = 6866 # Bonds = 64 11-hydroxylauroyl-CoA
ID = 2971 # Bonds = 64 C60 dolichol phosphate
ID = 6885 # Bonds = 64 6-<i>trans</i>-tridecenoyl-CoA
ID = 4384 # Bonds = 64 inositol phosphoceramide D (C24)
ID = 4758 # Bonds = 64 uroporphyrin III
ID = 4800 # Bonds = 64 curcumin 4'-O-β-D-gentiobiosyl 4''-O-β-D-glucoside
ID = 4373 # Bonds = 64 feruloyl-CoA
ID = 4497 # Bonds = 64 coenzyme α-F<sub>420</sub>-3
ID = 177 # Bonds = 64 3-hydroxy-5-<i>trans</i>-dodecenoyl-CoA
ID = 7009 # Bonds = 64 5,6-dihydro-2-naphthoyl-CoA
ID = 8939 # Bonds = 64 (<i>R</i>)-3-hydroxydodecanoyl-CoA
ID = 4058 # Bonds = 64 5-<i>trans</i>-3-oxo-dodecenoyl-CoA
ID = 9945 # Bonds = 64 5,6,7,8-tetrahydro-2-naphthoyl-CoA
ID = 8847 # Bonds = 64 inositol phosphoceramide B (C26)
ID = 8981 # Bonds = 64 ι-neocarratetraose sulfate
ID = 5362 # Bonds = 64 mycobactin T
ID = 8884 # Bonds = 64 (S)-3-hydroxydodecanoyl-CoA
ID = 10383 # Bonds = 64 2-<i>trans</i>-6-<i>trans</i>-tridecadienoyl-CoA
ID = 8905 # Bonds = 64 |uroporphyrinogen-III|
ID = 4584 # Bonds = 64 6-<i>cis</i>-tridecenoyl-CoA
ID = 6106 # Bonds = 64 aclacinomycin A
ID = 10757 # Bonds = 64 preuroporphyrinogen
ID = 1996 # Bonds = 64 aclacinomycin Y
ID = 10181 # Bonds = 64 6-<i>cis</i>, 2-<i>trans</i>-tridecadienoyl-CoA
ID = 10916 # Bonds = 64 glycyrrhizin
ID = 674 # Bonds = 64 3-oxododecanoyl-CoA
ID = 2441 # Bonds = 64 1-naphthoyl-CoA
ID = 8035 # Bonds = 64 uroporphyrinogen-I
ID = 571 # Bonds = 64 aclacinomycin N
ID = 3829 # Bonds = 64 uroporphyrin I
ID = 11584 # Bonds = 64 ω-saturated C60 dolichol phosphate
ID = 10788 # Bonds = 64 inositol phosphoceramide B' (C26)
ID = 10889 # Bonds = 64 12-hydroxylauroyl-CoA
ID = 10097 # Bonds = 64 2,4,6-trihydroxycinnamoyl-CoA
ID = 2468 # Bonds = 64 3-(4-methylpent-3-en-1-yl)-pent-2-enedioyl-CoA
ID = 7821 # Bonds = 64 mycobactin P
ID = 8465 # Bonds = 64 <i>S</i>-2-(indol-3 yl)acetyl-CoA
ID = 7259 # Bonds = 64 curcumin 4'-<i>O</i>-β-<i>D</i>-gentiotrioside
ID = 11334 # Bonds = 64 megalomicin A
ID = 9995 # Bonds = 64 [(2R)-3,3,4-trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA
ID = 4157 # Bonds = 64 2-naphthoyl-CoA
ID = 11044 # Bonds = 65 tri-acyl estolide
ID = 9888 # Bonds = 65 cyanophycin primer-L-aspartate
ID = 6683 # Bonds = 65 1-16:0-2-18:3-digalactosyldiacylglycerol
ID = 7000 # Bonds = 65 3-<i>trans</i>,5-<i>cis</i>-tetradecadienoyl-CoA
ID = 10934 # Bonds = 65 (11<i>Z</i>)-tetradecenoyl-CoA
ID = 11482 # Bonds = 65 demethylmacrocin
ID = 11865 # Bonds = 65 unsaturated archaetidylinositol phosphate
ID = 10042 # Bonds = 65 (9<i>Z</i>,12<i>E</i>)-tetradeca-9,12-dienoyl-CoA
ID = 8198 # Bonds = 65 (10<i>E</i>,12<i>E</i>)-tetradec-10,12-dienoyl-CoA
ID = 6414 # Bonds = 65 2-<i>trans</i>,4-<i>trans</i>-tetradecadienoyl-CoA
ID = 7907 # Bonds = 65 2-<i>trans</i>, 5-<i>cis</i>, 7-<i>trans</i>-tetradecatrienoyl-CoA
ID = 6612 # Bonds = 65 4-hydroxy-3-methoxyphenyl-β-hydroxypropanoyl-CoA
ID = 7019 # Bonds = 65 jasmonoyl-CoA
ID = 7242 # Bonds = 65 |myristoyl-CoA|
ID = 9980 # Bonds = 65 (<i>E</i>)-2-benzylidenesuccinyl-CoA
ID = 7537 # Bonds = 65 aclacinomycin B
ID = 8589 # Bonds = 65 (9<i>Z</i>)-tetradecenoyl-CoA
ID = 10679 # Bonds = 65 1-16:0-2-18:2-digalactosyldiacylglycerol
ID = 6497 # Bonds = 65 5-cis-tetradecenoyl-CoA
ID = 11771 # Bonds = 65 3-hydroxy, 6-<i>trans</i>-tridecenoyl-CoA
ID = 8061 # Bonds = 65 1-18:2-2-16:2-digalactosyldiacylglycerol
ID = 7230 # Bonds = 65 CDP-1,2-dipalmitoylglycerol
ID = 10676 # Bonds = 65 2-<i>trans</i>-tetradecenoyl-CoA
ID = 11468 # Bonds = 65 (<i>S</i>)-benzylsuccinyl-CoA
ID = 8074 # Bonds = 65 precorrin-1
ID = 9055 # Bonds = 65 1-18:3-2-16:0-digalactosyldiacylglycerol
ID = 10620 # Bonds = 65 1-16:1-2-18:1-digalactosyldiacylglycerol
ID = 7321 # Bonds = 65 6-<i>cis</i>, 3-oxo-tridecenoyl-CoA
ID = 9647 # Bonds = 65 acyl phosphatidylglycerol (n-C16:0)
ID = 2 # Bonds = 65 (<i>R</i>)-benzylsuccinyl-CoA
ID = 467 # Bonds = 65 2-<i>trans</i>,5-<i>cis</i>-tetradecadienoyl-CoA
ID = 1107 # Bonds = 65 saturated archaetidylinositol phosphate
ID = 1047 # Bonds = 65 3-<i>trans</i>-tetradecenoyl-CoA
ID = 992 # Bonds = 65 inositol phosphoceramide C (C26)
ID = 938 # Bonds = 65 6-<i>trans</i>-3-oxo-tridecenoyl-CoA
ID = 3271 # Bonds = 65 5-hydroxy-feruloyl-CoA
ID = 3209 # Bonds = 65 1-18:1-2-16:0-digalactosyldiacylglycerol
ID = 4182 # Bonds = 65 1-18:2-2-16:3-digalactosyldiacylglycerol
ID = 4319 # Bonds = 65 3-hydroxy, 6-<i>cis</i>-tridecenoyl-CoA
ID = 4331 # Bonds = 65 6'-hydroxyferuloyl-CoA
ID = 2849 # Bonds = 65 1-18:3-2-16:3-digalactosyldiacylglycerol
ID = 2749 # Bonds = 65 C65 dolichol
ID = 4370 # Bonds = 65 1-18:2-2-16:0-digalactosyldiacylglycerol
ID = 5506 # Bonds = 65 5-<i>cis</i>, 7-<i>trans</i>-tetradecadienoyl-CoA
ID = 4574 # Bonds = 65 (9<i>Z</i>,11<i>E</i>)-tetradec-9,11-dienoyl-CoA
ID = 1110 # Bonds = 65 1-16:1-2-18:2-digalactosyldiacylglycerol
ID = 1720 # Bonds = 65 1-hydroxy-2-naphthoyl-CoA
ID = 2114 # Bonds = 65 (11<i>E</i>)-tetradecenoyl-CoA
ID = 4693 # Bonds = 65 premithramycin A3
ID = 2174 # Bonds = 65 4-coumaroylacetyl-CoA
ID = 5303 # Bonds = 65 1-18:3-2-16:1-digalactosyldiacylglycerol
ID = 2200 # Bonds = 65 tetrahydrosarcinapterin
ID = 47 # Bonds = 65 3-<i>cis</i>-tetradecenoyl-CoA
ID = 2144 # Bonds = 65 1-16:0-2-18:1-digalactosyldiacylglycerol
ID = 5041 # Bonds = 65 1-18:3-2-16:2-digalactosyldiacylglycerol
ID = 17 # Bonds = 65 sarcinapterin
ID = 1699 # Bonds = 65 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA
ID = 8106 # Bonds = 66 precorrin-7
ID = 8173 # Bonds = 66 <i>N</i>-acetyl-D-glucosaminyl-<i>N</i>-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine
ID = 6656 # Bonds = 66 (<i>R</i>)-3-hydroxytetradecanoyl-CoA
ID = 1057 # Bonds = 66 β-D-mannosylphosphodecaprenol
ID = 11719 # Bonds = 66 helminthosporoside A
ID = 5124 # Bonds = 66 3-keto-5-cis-tetradecenoyl-CoA
ID = 926 # Bonds = 66 (3-methylbenzyl)succinyl-CoA
ID = 7473 # Bonds = 66 3-hydroxy- 5-<i>cis</i>, 7-<i>trans</i>-tetradecadienoyl-CoA
ID = 7927 # Bonds = 66 13-methylmyristoyl-CoA
ID = 4340 # Bonds = 66 3,5,7-trioxododecanoyl-CoA
ID = 4363 # Bonds = 66 (S)-3-hydroxytetradecanoyl-CoA
ID = 596 # Bonds = 66 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
ID = 332 # Bonds = 66 GlcNAc-1,6-anhMurNAc-L-Ala-γ-D-Glu-DAP-D-Ala
ID = 799 # Bonds = 66 3-hydroxy-5-<i>cis</i>-tetradecenoyl-CoA
ID = 7717 # Bonds = 66 1,4-dihydroxy-2-naphthoyl-CoA
ID = 7674 # Bonds = 66 macrocin
ID = 4846 # Bonds = 66 sirohydrochlorin
ID = 7532 # Bonds = 66 unsaturated C20-C25 archaetidylinositol
ID = 11383 # Bonds = 66 inositol phosphoceramide D (C26)
ID = 916 # Bonds = 66 precorrin-2
ID = 4430 # Bonds = 66 3-oxo-myristoyl-CoA
ID = 2957 # Bonds = 66 benzoylsuccinyl-CoA
ID = 10928 # Bonds = 66 siroamide
ID = 10308 # Bonds = 66 5-methyl-tetrahydrosarcinapterin
ID = 9670 # Bonds = 66 N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramyl-tetrapeptide
ID = 2600 # Bonds = 66 (3-methylphenyl)itaconyl-CoA
ID = 6075 # Bonds = 66 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA
ID = 3003 # Bonds = 66 5-<i>cis</i>, 7-<i>trans</i>-3-oxo-tetradecadienoyl-CoA
ID = 9063 # Bonds = 66 α-3',4'-anhydrovinblastine
ID = 3086 # Bonds = 66 pentadecanoyl-CoA
ID = 3302 # Bonds = 66 5',5'''-diadenosine hexaphosphate
ID = 2669 # Bonds = 66 sinapoyl-CoA
ID = 1228 # Bonds = 66 bacillibactin
ID = 8679 # Bonds = 66 angiotensin-(1-7)
ID = 8756 # Bonds = 67 avermectin B<sub>1b</sub>
ID = 10503 # Bonds = 67 1-18:2-2-18:2-digalactosyldiacylglycerol
ID = 2386 # Bonds = 67 1-18:1-2-18:3-digalactosyldiacylglycerol
ID = 7486 # Bonds = 67 megalomicin B
ID = 7418 # Bonds = 67 (9Z,12Z)-hexadeca-9,12-dienoyl-CoA
ID = 10431 # Bonds = 67 (2<i>E</i>,11<i>Z</i>)-hexadec-2,11-dienoyl-CoA
ID = 9824 # Bonds = 67 hexahydroindanone-coA
ID = 7342 # Bonds = 67 1-18:3-2-18:2-digalactosyldiacylglycerol
ID = 4785 # Bonds = 67 hexadeca-4,7,10,13-tetraene-1-oyl-CoA
ID = 1694 # Bonds = 67 (14Z)-hexadec-14-enoyl-CoA
ID = 9847 # Bonds = 67 1-18:2-2-18:3-digalactosyldiacylglycerol
ID = 2206 # Bonds = 67 3-<i>cis</i>-hexadecenoyl-CoA
ID = 586 # Bonds = 67 1-18:0-2-18:2-digalactosyldiacylglycerol
ID = 8417 # Bonds = 67 1-18:0-2-18:1-digalactosyldiacylglycerol
ID = 1767 # Bonds = 67 trans-hexadec-2-enoyl-CoA
ID = 9540 # Bonds = 67 precorrin-8x
ID = 4492 # Bonds = 67 5-formyl-tetrahydrosarcinapterin
ID = 7652 # Bonds = 67 sapienoyl-CoA
ID = 1552 # Bonds = 67 (9Z,12Z,15Z)-hexadeca-9,12,15-trienoyl-CoA
ID = 3428 # Bonds = 67 palmitoleoyl-CoA
ID = 8232 # Bonds = 67 zeaxanthin bis(β-D-glucoside)
ID = 3272 # Bonds = 67 astaxanthin dirhamnoside
ID = 1221 # Bonds = 67 1-18:0-2-18:3-digalactosyldiacylglycerol
ID = 870 # Bonds = 67 3''-adenylylstreptomycin
ID = 3783 # Bonds = 67 feruloylacetyl-CoA
ID = 6327 # Bonds = 67 biotinyl-CoA
ID = 1046 # Bonds = 67 mycothione
ID = 829 # Bonds = 67 OPC4-trans-2-enoyl-CoA
ID = 2933 # Bonds = 67 hydrogenobyrinate <i>a,c</i>-diamide
ID = 10632 # Bonds = 67 relomycin
ID = 10578 # Bonds = 67 tylosin
ID = 1151 # Bonds = 67 1-18:1-2-18:1-digalactosyldiacylglycerol
ID = 9427 # Bonds = 67 (E,E)-piperoyl-CoA
ID = 3760 # Bonds = 67 nystatin A1
ID = 1210 # Bonds = 67 4,8,12-trimethyltridecanoyl-CoA
ID = 9151 # Bonds = 67 (14E)-hexadec-14-enoyl-CoA
ID = 8446 # Bonds = 67 OPC4-CoA
ID = 1051 # Bonds = 67 (9Z,12E)-hexadecadienoyl-CoA
ID = 147 # Bonds = 67 megalomicin C
ID = 6770 # Bonds = 67 5,10-methylene-tetrahydrosarcinapterin
ID = 6586 # Bonds = 67 (11<i>Z</i>)-hexadecenoyl-CoA
ID = 6767 # Bonds = 67 1-18:3-2-18:3-digalactosyldiacylglycerol
ID = 6976 # Bonds = 67 amphotericin B
ID = 6326 # Bonds = 67 vinblastine
ID = 6474 # Bonds = 67 precorrin-3A
ID = 69 # Bonds = 67 1-18:1-2-18:2-digalactosyldiacylglycerol
ID = 6467 # Bonds = 67 (10<i>E</i>,12<i>Z</i>)-10,12-hexadecadienoyl-CoA
ID = 49 # Bonds = 67 palmitoyl-CoA
ID = 5749 # Bonds = 67 hydrogenobyrinate
ID = 9590 # Bonds = 68 OPC4-3-hydroxyacyl-CoA
ID = 7691 # Bonds = 68 OPC4-3-ketoacyl-CoA
ID = 3240 # Bonds = 68 (11<i>Z</i>)-(S)-3-hydroxyhexadec-11-enoyl-CoA
ID = 2545 # Bonds = 68 precorrin-6A
ID = 11494 # Bonds = 68 ω, mono-<i>trans</i>,deca-<i>cis</i>-dodecaprenyl diphosphate
ID = 3235 # Bonds = 68 demethylmenaquinone-11
ID = 11190 # Bonds = 68 all-<i>trans</i>-dodecaprenyl diphosphate
ID = 4814 # Bonds = 68 (2<i>E</i>)-3-[(3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>S</i>)-5-hydroxy-7a-methyl-1-oxo-octahydro-1<i>H</i>-inden-4-yl]prop-2-enoyl-CoA
ID = 1354 # Bonds = 68 (<i>R</i>)-3-hydroxyhexadecanoyl-CoA
ID = 3087 # Bonds = 68 <i>trans,octacis</i>-decaprenylphospho-β-D-ribofuranose 5-phosphate
ID = 4079 # Bonds = 68 precorrin-6B
ID = 6063 # Bonds = 68 (S)-3-hydroxyhexadecanoyl-CoA
ID = 9292 # Bonds = 68 5-hydroxy-3-[(3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>S</i>)-7a-methyl-1,5-dioxo-octahydro-1<i>H</i>-inden-4-yl]propanoyl-CoA
ID = 2795 # Bonds = 68 16-hydroxypalmitoyl-CoA
ID = 3825 # Bonds = 68 10-<i>trans</i>-heptadecenoyl-CoA
ID = 1303 # Bonds = 68 avermectin B<sub>1a</sub>
ID = 137 # Bonds = 68 16-oxo-palmitoyl-CoA
ID = 9326 # Bonds = 68 α-chaconine
ID = 1744 # Bonds = 68 C60 dolichol diphosphate
ID = 5671 # Bonds = 68 (+)-sesaminol 2-<i>O</i>-β-<i>D</i>-glucosyl (1->2)-<i>O</i>-[β-<i>D</i>-glucosyl (1->6)]-β-<i>D</i>-glucoside
ID = 1823 # Bonds = 68 (<i>R</i>)-2-hydroxy-palmitoyl-CoA
ID = 6701 # Bonds = 68 3-oxo-palmitoyl-CoA
ID = 7987 # Bonds = 68 10-<i>cis</i>-heptadecenoyl-CoA
ID = 6273 # Bonds = 68 3-[(3a<i>S</i>,4<i>S</i>,7a<i>S</i>)-7a-methyl-1,5-dioxo-octahydro-1<i>H</i>-inden-4-yl]propanoyl-CoA
ID = 11270 # Bonds = 68 2'-(5''-triphospho-α-D-ribosyl)-3'-dephospho-CoA
ID = 3616 # Bonds = 68 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA
ID = 5218 # Bonds = 68 demethylmenaquinol-11
ID = 6245 # Bonds = 68 (11<i>Z</i>)-3-oxo-hexadecenoyl-CoA
ID = 9875 # Bonds = 68 candicinolide
ID = 3907 # Bonds = 68 taxol
ID = 1189 # Bonds = 68 rapamycin
ID = 3484 # Bonds = 68 heptadecanoyl-CoA
ID = 9169 # Bonds = 69 OPC6-trans-2-enoyl-CoA
ID = 5700 # Bonds = 69 4-amino-4-deoxy-α-L-arabinopyranosyl <i>ditrans,octacis</i>-undecaprenyl phosphate
ID = 2850 # Bonds = 69 1-20:2-2-18:3-digalactosyldiacylglycerol
ID = 3637 # Bonds = 69 1-20:0-2-18:3-digalactosyldiacylglycerol
ID = 4636 # Bonds = 69 26-degluco-protodioscin
ID = 7735 # Bonds = 69 18-oxo candicinolide
ID = 8550 # Bonds = 69 1-20:1-2-18:3-digalactosyldiacylglycerol
ID = 5992 # Bonds = 69 delphinidin 3-<i>O</i>-rutinoside-7-<i>O</i>-(6-<i>O</i>-(p-hydroxybenzoyl)-glucoside)
ID = 1375 # Bonds = 69 9-<i>cis</i>, 11-<i>trans</i>-octadecadienoyl-CoA
ID = 10845 # Bonds = 69 γ-linolenoyl-CoA
ID = 9028 # Bonds = 69 |stearoyl-CoA|
ID = 1331 # Bonds = 69 OPC6-CoA
ID = 821 # Bonds = 69 protochlorophyll a
ID = 3477 # Bonds = 69 α-linolenoyl-CoA
ID = 10885 # Bonds = 69 1-20:1-2-18:2-digalactosyldiacylglycerol
ID = 4680 # Bonds = 69 dioscin
ID = 9079 # Bonds = 69 1-20:3-2-18:3-digalactosyldiacylglycerol
ID = 5351 # Bonds = 69 18-hydroxy candicinolide
ID = 7411 # Bonds = 69 3-[(3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>S</i>)-5-hydroxy-7a-methyl-1-oxo-octahydro-1<i>H</i>-inden-4-yl]-3-hydroxypropanoyl-CoA
ID = 2811 # Bonds = 69 chlorophyll <i>a'</i>
ID = 5643 # Bonds = 69 UDP-<i>N</i>-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-L-lysine
ID = 5164 # Bonds = 69 cyanidin 3-<i>O</i>-glucoside-7-<i>O</i>-(6-<i>O</i>-(4-<i>O</i>-(glucosyl)-oxybenzoyl)-glucoside)
ID = 6239 # Bonds = 69 |oleoyl-CoA|
ID = 1637 # Bonds = 69 CDP-1,2-dioctadecanoylglycerol
ID = 997 # Bonds = 69 elaidoyl-CoA
ID = 2313 # Bonds = 69 3-<i>cis</i>-octadecenoyl-CoA
ID = 7184 # Bonds = 69 menaquinol-<i>11</i>
ID = 4054 # Bonds = 69 3-[(3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>S</i>)-5-hydroxy-7a-methyl-1-oxo-octahydro-1<i>H</i>-inden-4-yl]-3-oxopropanoyl-CoA
ID = 3872 # Bonds = 69 precorrin-3B
ID = 10474 # Bonds = 69 hexadecanedioyl-CoA
ID = 3665 # Bonds = 69 |linoleoyl-CoA|
ID = 5474 # Bonds = 69 pheophytin a
ID = 9473 # Bonds = 69 menaquinone-<i>11</i>
ID = 6450 # Bonds = 69 α-solanine
ID = 7299 # Bonds = 69 C65 dolichol phosphate
ID = 2486 # Bonds = 69 chlorophyll d
ID = 5488 # Bonds = 69 <i>trans</i>-octadec-2-enoyl-CoA
ID = 10612 # Bonds = 69 1-20:2-2-18:2-digalactosyldiacylglycerol
ID = 6469 # Bonds = 69 10,16-dihydroxypalmitoyl-CoA
ID = 713 # Bonds = 69 glycoprotein-phospho-D-mannose
ID = 2745 # Bonds = 69 2-hydroxy-3-methylhexadecanoyl-CoA
ID = 2773 # Bonds = 69 solanine
ID = 4770 # Bonds = 69 N6-(UDP-<i>N</i>-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl)-D-lysine
ID = 9334 # Bonds = 69 stearidonoyl-CoA
ID = 4786 # Bonds = 69 precorrin-4
ID = 9685 # Bonds = 70 <i>p</i>-nitrophenyl-β-D-cellopentaoside
ID = 8250 # Bonds = 70 18-oxo-oleoyl-CoA
ID = 1723 # Bonds = 70 CoA-glutathione
ID = 1369 # Bonds = 70 pristanoyl-CoA
ID = 8420 # Bonds = 70 18-hydroxystearoyl-CoA
ID = 2139 # Bonds = 70 precorrin-5
ID = 5489 # Bonds = 70 pheophytin b
ID = 255 # Bonds = 70 ricinoleoyl-CoA
ID = 1155 # Bonds = 70 OPC6-3-ketoacyl-CoA
ID = 8125 # Bonds = 70 (3<i>R</i>)-3-hydroxy-stearoyl-CoA
ID = 990 # Bonds = 70 torvoside H
ID = 5604 # Bonds = 70 megalomicin C1
ID = 10899 # Bonds = 70 3-oxo-stearoyl-CoA
ID = 6534 # Bonds = 70 18-carboxy candicinolide
ID = 5447 # Bonds = 70 C70 dolichol
ID = 1355 # Bonds = 70 UDP-2-N,3-O-bis[(3R)-3-hydroxytetradecanoyl]-α-D-glucosamine
ID = 2547 # Bonds = 70 (<i>R</i>)-2-hydroxy-stearoyl-CoA
ID = 4498 # Bonds = 70 26-degluco-protogracillin
ID = 11684 # Bonds = 70 (S)-3-hydroxy-stearoyl-CoA
ID = 9516 # Bonds = 70 ginsenoside C-Mx1
ID = 10811 # Bonds = 70 ginsenoside C-O
ID = 10517 # Bonds = 70 densipoloyl-CoA
ID = 10729 # Bonds = 70 tetrahydropteroyl penta-L-glutamate
ID = 2343 # Bonds = 70 18-hydroxylinoleoyl-CoA
ID = 3319 # Bonds = 70 OPC6-3-hydroxyacyl-CoA
ID = 4415 # Bonds = 70 ginsenoside C-Mc1
ID = 3681 # Bonds = 70 scyptolin A
ID = 4229 # Bonds = 70 18-hydroxyoleoyl-CoA
ID = 8332 # Bonds = 71 unsaturated CDP-archaeol
ID = 3818 # Bonds = 71 crocetin neapolitanose glucosyl ester
ID = 3823 # Bonds = 71 4-deoxy-4-formamido-α-L-arabinopyranosyl <i>ditrans,octacis</i>-undecaprenyl phosphate
ID = 11030 # Bonds = 71 dihomo γ-linolenoyl-CoA
ID = 11790 # Bonds = 71 2,3-<i>cis</i>-oligoproanthocyanidin
ID = 8566 # Bonds = 71 OPC8-CoA
ID = 1979 # Bonds = 71 anabaenopeptilide 90B
ID = 10210 # Bonds = 71 (9R,10S)-dihydroxystearoyl-CoA
ID = 1859 # Bonds = 71 undecaprenyl phosphate-4-amino-4-formyl-L-arabinose
ID = 10086 # Bonds = 71 demycosaminyl-candicidin III
ID = 2071 # Bonds = 71 saturated CDP-archaeol
ID = 2129 # Bonds = 71 <i>trans</i>-arachido-2-enoyl-CoA
ID = 1754 # Bonds = 71 (2E,8Z,11Z,14Z,17Z)-icosa-2,8,11,14,17-pentaenoyl-CoA
ID = 2306 # Bonds = 71 juniperonoyl-CoA
ID = 9680 # Bonds = 71 megalomicin C2
ID = 9653 # Bonds = 71 phytenoyl-CoA
ID = 3658 # Bonds = 71 ω-carboxy-(9<i>Z</i>)-octadec-9-enoyl-CoA
ID = 2384 # Bonds = 71 arachidonoyl-CoA
ID = 9313 # Bonds = 71 (2E,8Z,11Z,14Z)-icosatetraenoyl-CoA
ID = 1463 # Bonds = 71 unsaturated C25-C25 archaetidylinositol
ID = 9264 # Bonds = 71 icosanoyl-CoA
ID = 2866 # Bonds = 71 cellohexaose
ID = 1462 # Bonds = 71 OPC8-trans-2-enoyl-CoA
ID = 5629 # Bonds = 71 (11Z,14Z)-icosa-11,14-dienoyl-CoA
ID = 3244 # Bonds = 71 crocin
ID = 3390 # Bonds = 71 kaempferol 3-<i>O</i>-[6-(4-coumaroyl)-β-<i>D</i>-glucosyl-(1->2)-glucosyl-(1->2)-β-<i>D</i>-glucoside
ID = 1232 # Bonds = 71 ginsenoside R1
ID = 10944 # Bonds = 71 3-oxopristanoyl-CoA
ID = 2705 # Bonds = 71 anabaenopeptilide 90A
ID = 11171 # Bonds = 71 icosatrienoyl-2-enoyl CoA
ID = 1905 # Bonds = 71 β-D-mannosyl-(C55 ω-saturated dolichyl phosphate)
ID = 11278 # Bonds = 71 9,10-epoxystearoyl-CoA
ID = 450 # Bonds = 71 sciadonoyl-CoA
ID = 6835 # Bonds = 71 icosapentaenoyl-CoA
ID = 6826 # Bonds = 71 (2E, 11Z,14Z)-icosa-2,11,14-trienoyl-CoA
ID = 5345 # Bonds = 71 a hexose-(C55 ω-saturated dolichyl phosphate)
ID = 7773 # Bonds = 71 |phytanoyl-CoA|
ID = 8006 # Bonds = 71 (11Z,14Z,17Z)-icosatrienoyl-CoA
ID = 4887 # Bonds = 71 trans-(11Z)-eicos-11-enoyl-CoA
ID = 5408 # Bonds = 71 D-mannosyl-1-phosphoundecaprenol
ID = 5531 # Bonds = 71 (11Z)-icosenoyl-CoA
ID = 5136 # Bonds = 71 (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl-CoA
ID = 814 # Bonds = 71 (5Z)-icosenoyl-CoA
ID = 755 # Bonds = 71 3-<i>sn</i>-phosphatidyl-1'-(3'-acyl)-glycerol (n-C18:0)
ID = 530 # Bonds = 72 ajugose
ID = 10159 # Bonds = 72 3-oxoicosanoyl-CoA
ID = 9784 # Bonds = 72 ginsenoside Re
ID = 9750 # Bonds = 72 OPC8-3-ketoacyl-CoA
ID = 5709 # Bonds = 72 trans-lesqueroloyl-CoA
ID = 2082 # Bonds = 72 1,2,3,4,6-pentagalloylglucose
ID = 8945 # Bonds = 72 2-hydroxyphytanoyl-CoA
ID = 3774 # Bonds = 72 neo-λ-carratetraose
ID = 9744 # Bonds = 72 3R-hydroxy-dihomo γ-linolenoyl-CoA
ID = 8404 # Bonds = 72 maltohexaose
ID = 4565 # Bonds = 72 3-oxo-icosatetraenoyl-CoA
ID = 4367 # Bonds = 72 OPC8-3-hydroxyacyl-CoA
ID = 9003 # Bonds = 72 quercetin-3-gentiotetraside
ID = 8476 # Bonds = 72 (2E,11Z,17Z)-14R-hydroxy-icosa-11,17-trienoyl-CoA
ID = 10972 # Bonds = 72 auricoloyl-CoA
ID = 3747 # Bonds = 72 3R-hydroxy-(11Z,14Z)-icosa-11,14-dienoyl-CoA
ID = 10861 # Bonds = 72 (3<i>R</i>)-3-hydroxy-arachidoyl-CoA
ID = 5999 # Bonds = 72 α-cyclodextrin
ID = 7329 # Bonds = 72 ginsenoside Rd
ID = 8093 # Bonds = 72 5,10-methylenetetrahydropteroyl penta-L-glutamate
ID = 949 # Bonds = 72 3R-hydroxy-icosatrienoyl-CoA
ID = 8624 # Bonds = 72 9,10-epoxy-18-hydroxystearoyl-CoA
ID = 6552 # Bonds = 72 lesqueroloyl-CoA
ID = 11147 # Bonds = 72 3-oxo-(11Z,14Z)-icosa-11,14-dienoyl-CoA
ID = 124 # Bonds = 72 UDP-<I>N</I>-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-<I>meso</I>-2,6-diaminopimelate
ID = 2858 # Bonds = 72 3-hydroxy-eicosatetraenoyl-CoA
ID = 3233 # Bonds = 72 3R-hydroxy-(11Z)-eicos-11-enoyl-CoA
ID = 11838 # Bonds = 72 9,10,18-trihydroxystearoyl-CoA
ID = 1886 # Bonds = 72 3-oxo-dihomo γ-linolenoyl-CoA
ID = 2947 # Bonds = 72 3-oxo-(11Z)-eicos-11-enoyl-CoA
ID = 432 # Bonds = 72 3-oxo-icosatrienoyl-CoA
ID = 10851 # Bonds = 72 gypenoside XVII
ID = 8846 # Bonds = 72 λ-carratetraose
ID = 746 # Bonds = 72 bilirubin-bisglucuronoside
ID = 4325 # Bonds = 73 (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
ID = 3356 # Bonds = 73 delphinidin 3-<i>O</i>-glucosyl-5-<i>O</i>-(caffeoylglucoside-3'-<i>O</i>-glucoside)
ID = 6224 # Bonds = 73 docosapentaenoyl-CoA
ID = 4202 # Bonds = 73 all-<i>trans</i>-tridecaprenyl diphosphate
ID = 8822 # Bonds = 73 demethylmenaquinol-12
ID = 3089 # Bonds = 73 N-acetyl-α-D-glucosaminyl-diphospho-trans,octacis-decaprenol
ID = 8976 # Bonds = 73 demethylmenaquinone-12
ID = 2680 # Bonds = 73 <i>trans</i>-docos-2-enoyl-CoA
ID = 4796 # Bonds = 73 3R-hydroxy-auricoloyl-CoA
ID = 4629 # Bonds = 73 soyasaponin I
ID = 4877 # Bonds = 73 C65 dolichol diphosphate
ID = 4071 # Bonds = 73 mannosylinositol phosphorylceramide A (C24)
ID = 2365 # Bonds = 73 docosanoyl-CoA
ID = 9135 # Bonds = 73 (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA
ID = 5183 # Bonds = 73 3-oxo-lesqueroloyl-CoA
ID = 8256 # Bonds = 73 adrenoyl-CoA
ID = 5452 # Bonds = 73 3-oxo-auricoloyl-CoA
ID = 4350 # Bonds = 73 liposidomycin B1
ID = 3044 # Bonds = 73 (13Z)-docos-13-enoyl-CoA
ID = 10050 # Bonds = 73 <i>trans</i>-adre-2-enoyl-CoA
ID = 7925 # Bonds = 73 tellimagrandin II
ID = 6830 # Bonds = 73 3R-hydroxy-lesqueroloyl-CoA
ID = 11346 # Bonds = 73 docosahexaenoyl-CoA
ID = 11340 # Bonds = 74 oleanolate-3-beta-D-glucuronoside-(3,1)-galactoside-(4,1)-glucoside
ID = 10776 # Bonds = 74 oleanolate 3-beta-D-glucuronoside-(3,1)-galactoside-28-glucoside
ID = 2337 # Bonds = 74 3R-hydroxy-adrenoyl-CoA
ID = 2566 # Bonds = 74 ginsenoside Ro
ID = 9819 # Bonds = 74 C70 dolichol phosphate
ID = 9208 # Bonds = 74 UDP-<i>N</i>-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanine
ID = 7737 # Bonds = 74 3-oxo-behenoyl-CoA
ID = 9073 # Bonds = 74 (3<i>R</i>)-3-hydroxy-behenoyl-CoA
ID = 10732 # Bonds = 74 menaquinone-<i>12</i>
ID = 10651 # Bonds = 74 monodeglucosyl avenacin A-1
ID = 7755 # Bonds = 74 cuspinin
ID = 11757 # Bonds = 74 mannosylinositol phosphoceramide B (C24)
ID = 10033 # Bonds = 74 22-hydroxy-docosanoyl-CoA
ID = 7047 # Bonds = 74 (5Z,8Z,11Z,14Z,17Z)-3R-hydroxy-docosapentaenoyl-CoA
ID = 8218 # Bonds = 74 22-oxo-docosanoyl-CoA
ID = 7875 # Bonds = 74 menaquinol-<i>12</i>
ID = 3503 # Bonds = 74 rebaudioside A
ID = 1863 # Bonds = 74 3-oxo-docosapentaenoyl-CoA
ID = 3789 # Bonds = 74 <i>N</i>-acetyl-α-D-glucosaminyl-(C55 ω-saturated dolichyl phosphate)
ID = 9844 # Bonds = 74 3-oxo adrenoyl-CoA
ID = 10016 # Bonds = 74 mannosylinositol phosphoceramide B' (C24)
ID = 1322 # Bonds = 75 <i>trans</i>-lignocer-2-enoyl-CoA
ID = 6774 # Bonds = 75 alnusiin
ID = 2158 # Bonds = 75 (2Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
ID = 7669 # Bonds = 75 (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA
ID = 6122 # Bonds = 75 des-acyl avenacin A
ID = 10450 # Bonds = 75 α-D-galactosyl-diphosphoundecaprenol
ID = 2289 # Bonds = 75 3A-deolivosylpremithramycin B
ID = 2062 # Bonds = 75 α-D-glucopyranosyl-diphosphoundecaprenol
ID = 3908 # Bonds = 75 C75 dolichol
ID = 4036 # Bonds = 75 (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA
ID = 5483 # Bonds = 75 castalagin
ID = 6585 # Bonds = 75 (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
ID = 10896 # Bonds = 75 (2E,6Z,9Z,12Z,15Z,18Z,21Z)-tetracosaheptaenoyl-CoA
ID = 11434 # Bonds = 75 mannosylinositol phosphorylceramide C (C24)
ID = 4684 # Bonds = 75 (<i>Z</i>)-15-tetracosenoyl-CoA
ID = 4703 # Bonds = 75 mannosylinositol phosphorylceramide A (C26)
ID = 9424 # Bonds = 75 22-carboxy-docosanoyl-CoA
ID = 1500 # Bonds = 75 lignoceroyl-CoA
ID = 10401 # Bonds = 75 echinocandin D
ID = 7584 # Bonds = 76 3R-hydroxy-tetracosapentaenoyl-CoA
ID = 9069 # Bonds = 76 3-oxo-tetracosatetraenoyl-CoA
ID = 3210 # Bonds = 76 mannosylinositol phosphoceramide B' (C26)
ID = 2767 # Bonds = 76 mannosylinositol phosphoceramide B (C26)
ID = 3395 # Bonds = 76 curcumin 4',4''-O-β-D-digentiobioside
ID = 9933 # Bonds = 76 (3<i>R</i>)-3-hydroxy-lignoceroyl-CoA
ID = 11077 # Bonds = 76 3-oxo-lignoceroyl-CoA
ID = 580 # Bonds = 76 (3S)-hydroxy-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
ID = 2165 # Bonds = 76 (3<i>S</i>)-3-hydroxy-lignoceroyl-CoA
ID = 207 # Bonds = 76 3-oxo-tetracosapentaenoyl-CoA
ID = 1703 # Bonds = 76 curcumin 4'-<i>O</i>-β-<i>D</i>-gentiotetraside
ID = 662 # Bonds = 76 3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA
ID = 10645 # Bonds = 76 aeruginopeptin 917S-C
ID = 2124 # Bonds = 76 mannosylinositol phosphorylceramide D (C24)
ID = 1382 # Bonds = 77 cerotoyl-CoA
ID = 2787 # Bonds = 77 UDP-<i>N</i>-acetylmuramoyl-L-alanyl-γ-D-glutamyl-<I>meso</I>-2,6-diaminopimeloyl-D-alanine
ID = 6017 # Bonds = 77 echinocandin C
ID = 119 # Bonds = 77 aculeacin A
ID = 2253 # Bonds = 77 bactoprenyl-diphospho-acetamido-4-amino-6-deoxygalactopyranose
ID = 3580 # Bonds = 77 cilofungin
ID = 7144 # Bonds = 77 mannosylinositol phosphorylceramide C (C26)
ID = 5520 # Bonds = 77 <i>trans</i>-cerot-2-enoyl-CoA
ID = 2896 # Bonds = 78 mannosylinositol phosphorylceramide D (C26)
ID = 2266 # Bonds = 78 3-one-23,24-bisnorchol-1,4-dien-22-yl-CoA
ID = 4564 # Bonds = 78 XXXG xyloglucan oligosaccharide
ID = 9599 # Bonds = 78 (S)-3-hydroxyhexacosanoyl-CoA
ID = 10671 # Bonds = 78 (3<i>R</i>)-3-hydroxy-cerotoyl-CoA
ID = 3953 # Bonds = 78 <i>N</i>-acetyl-α-D-galactosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 4974 # Bonds = 78 C70 dolichol diphosphate
ID = 5130 # Bonds = 78 3-oxo-4,17-pregnadiene-20-carboxyl-CoA
ID = 8581 # Bonds = 78 angiotensin II
ID = 3566 # Bonds = 78 demethylmenaquinone-13
ID = 2265 # Bonds = 78 3-oxo-4-pregnene-20-carboxyl-CoA
ID = 9230 # Bonds = 78 3-oxo-cerotoyl-CoA
ID = 8045 # Bonds = 78 demethylmenaquinol-13
ID = 2783 # Bonds = 78 echinocandin B
ID = 7186 # Bonds = 78 <i>N</i>-acetyl-α-D-glucosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 3800 # Bonds = 79 9α-hydroxy-androst-4-en-3-one-17-propanoyl-CoA
ID = 10649 # Bonds = 79 cyanidin 3-<i>O</i>-glucoside-7-<i>O</i>-(6-<i>O</i>-(4-<i>O</i>-(6-<i>O</i>-(p-hydroxybenzoyl)-glucosyl)-oxybenzoyl)-glucoside)
ID = 1559 # Bonds = 79 mithramycin SA
ID = 3453 # Bonds = 79 nostopeptolide A2
ID = 7850 # Bonds = 79 aeruginopeptin 228B
ID = 4570 # Bonds = 79 rubradirin
ID = 792 # Bonds = 79 menaquinone-<i>13</i>
ID = 10672 # Bonds = 79 2'-[<i>O</i>-(β-D-glucopyranosyl)]-relomycin
ID = 621 # Bonds = 79 C75 dolichol phosphate
ID = 11246 # Bonds = 79 2'-[O-(β-D-glucopyranosyl)]-tylosin
ID = 202 # Bonds = 79 pneumocandin Ao
ID = 10733 # Bonds = 79 UDP-MurNAc-L-Ala-D-Glu-L-Lys-D-Ala-D-Ala
ID = 8183 # Bonds = 79 17-hydroxy-3-oxo-4-pregnane-20-carboxyl-CoA
ID = 11555 # Bonds = 79 aeruginopeptin 228A
ID = 5826 # Bonds = 79 9α-hydroxy-3-oxo-23,24-bisnorchol-1,4-dien-22-yl-CoA
ID = 11370 # Bonds = 79 menaquinol-<i>13</i>
ID = 9731 # Bonds = 79 UDP-<i>N</i>-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanyl-D-alanine
ID = 1948 # Bonds = 80 caspofungin
ID = 3980 # Bonds = 80 lithocholoyl-CoA
ID = 9350 # Bonds = 80 3-oxochol-4-en-24-oyl-CoA
ID = 10140 # Bonds = 80 3β-hydroxy-chol-5-en-24-oyl-CoA
ID = 3129 # Bonds = 80 nostopeptolide A1
ID = 6715 # Bonds = 80 3-oxochol-4,22-dien-24-oyl-CoA
ID = 5336 # Bonds = 80 2-carboxy-cerotoyl-CoA
ID = 10215 # Bonds = 80 <i>di-trans, poly-cis</i>-polyprenol (C<sub>80</sub>)
ID = 8949 # Bonds = 80 <i>N,N'</i>-diacetyl-α-D-bacillosaminyl-diphospho-<i>tri-trans,hepta-cis</i>-undecaprenol
ID = 5584 # Bonds = 80 C80 dolichol
ID = 10611 # Bonds = 80 coenzyme F<sub>390</sub>-A
ID = 9139 # Bonds = 81 chenodeoxycholoyl-CoA
ID = 9697 # Bonds = 81 3,22-dioxochol-4-en-24-oyl-CoA
ID = 7829 # Bonds = 81 aeruginopeptin 917S-B
ID = 194 # Bonds = 81 22-hydroxy-3-oxochol-4-en-24-oyl-CoA
ID = 7897 # Bonds = 81 polymyxin M
ID = 6321 # Bonds = 81 mithramycin SK
ID = 289 # Bonds = 81 deoxycholyl-CoA
ID = 6678 # Bonds = 81 3-oxo-deoxycholyl-CoA
ID = 11826 # Bonds = 81 polymyxin A
ID = 6244 # Bonds = 81 aeruginopeptin 917S-A
ID = 10955 # Bonds = 81 delphinidin 3-<i>O</i>-rutinoside-7-<i>O</i>-(6-<i>O</i>-(4-<i>O</i>-(glucosyl)-oxybenzoyl)-glucoside)
ID = 2584 # Bonds = 81 protodioscin
ID = 4607 # Bonds = 81 tomatine
ID = 11448 # Bonds = 81 candicidin VI
ID = 7470 # Bonds = 81 polymyxin E2
ID = 127 # Bonds = 81 3-oxo-Δ<SUP>4</SUP>-deoxycholyl-CoA
ID = 11207 # Bonds = 81 3-oxo-Δ<SUP>4,6</SUP>-cholyl-CoA
ID = 3984 # Bonds = 81 mithramycin SDK
ID = 5400 # Bonds = 82 |3-oxo-cholyl-CoA|
ID = 7180 # Bonds = 82 aureobasidin A
ID = 2259 # Bonds = 82 3-oxo-Δ<SUP>4</SUP>-cholyl-CoA
ID = 1889 # Bonds = 82 ginsenoside Rc
ID = 2944 # Bonds = 82 methanofuran d
ID = 3380 # Bonds = 82 UDP-<i>N</i>-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-<I>meso</I>-2,6-diaminopimeloyl-D-alanyl-D-alanine
ID = 3925 # Bonds = 82 candicidin III
ID = 5835 # Bonds = 82 protogracillin
ID = 8586 # Bonds = 82 polymyxin E1
ID = 9061 # Bonds = 82 ginsenoside Rb3
ID = 11741 # Bonds = 82 ginsenoside Rb2
ID = 1072 # Bonds = 82 choloyl-CoA
ID = 1496 # Bonds = 82 candicidin V
ID = 1271 # Bonds = 83 mithramycin DK
ID = 7474 # Bonds = 83 mithramycin
ID = 5563 # Bonds = 83 (25S)-3-oxocholest-4-en-26-oyl-CoA
ID = 5581 # Bonds = 83 avenacoside A
ID = 9517 # Bonds = 83 avenacin B-2
ID = 11441 # Bonds = 83 26-desgluco-avenacoside B
ID = 4135 # Bonds = 83 3-oxocholest-4,24-dien-26-oyl-CoA
ID = 2060 # Bonds = 83 crocetin neapolitanose gentiobiosyl ester
ID = 10098 # Bonds = 83 C75 dolichol diphosphate
ID = 6637 # Bonds = 83 pppA2'p5'A2'p5'A
ID = 4 # Bonds = 84 UDP-<i>N</i>-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-N<sup>6</sup>-(L-alanyl)-L-lysyl-D-alanyl-D-alanine
ID = 5963 # Bonds = 84 3-<i>O</i>-digalloyl-1,2,4,6-tetra-<i>O</i>-β-<i>D</i>-galloylglucose
ID = 9700 # Bonds = 84 (24<i>E</i>)-3α,7α-dihydroxy-5β-cholest-24-enoyl-CoA
ID = 4540 # Bonds = 84 3,24-dioxocholest-4-en-26-oyl-CoA
ID = 11206 # Bonds = 84 C80 dolichol phosphate
ID = 3277 # Bonds = 84 4-<i>O</i>-digalloyl-1,2,3,6-tetra-<i>O</i>-β-<i>D</i>-galloylglucose
ID = 6470 # Bonds = 84 α-L-rhamnopyranosyl-(1→3)-N-acetyl-α-D-glucosaminyl-diphospho-trans,octacis-decaprenol
ID = 5086 # Bonds = 84 ginsenoside Rb1
ID = 8347 # Bonds = 84 β-D-glucuronate-(1,3)-hexose-(C55 ω-saturated dolichyl phosphate)
ID = 5800 # Bonds = 84 (25<i>S</i>)-3α,7α-dihydroxy-5β-cholestanoyl-CoA
ID = 5431 # Bonds = 84 β-cyclodextrin
ID = 8612 # Bonds = 84 16-hydroxy-hentriaconta-3,6,9,12,19,22,25,28-octaene-15-oyl-CoA
ID = 8304 # Bonds = 84 formyl-methanofuran d
ID = 11560 # Bonds = 84 maltoheptaose
ID = 4124 # Bonds = 84 glycoprotein <i>N</i>-acetyl-D-glucosaminyl-phospho-D-mannose
ID = 9119 # Bonds = 84 hentriaconta-3,6,9,12,19,22,25,28-octaene-16-one-15-oyl-CoA
ID = 3954 # Bonds = 84 2-<i>O</i>-digalloyl-1,3,4,6-tetra-<i>O</i>-β-<i>D</i>-galloylglucose
ID = 4963 # Bonds = 84 avenacin A-2
ID = 9248 # Bonds = 84 (25<i>R</i>)-3α,7α-dihydroxy-5β-cholestanoyl-CoA
ID = 7439 # Bonds = 84 24-hydroxy-3-oxocholest-4-en-26-oyl-CoA
ID = 6479 # Bonds = 84 caprazamycin A
ID = 3719 # Bonds = 85 Microcin C
ID = 10466 # Bonds = 85 acetyl-methanofuran d
ID = 9223 # Bonds = 85 3α,7α-dihydroxy-24-oxo-5β-cholestanoyl CoA
ID = 8578 # Bonds = 85 (24<i>E</i>)-3α,7α,12α-trihydroxy-5β-cholest-24-enoyl-CoA
ID = 7128 # Bonds = 85 polymyxin B2
ID = 6402 # Bonds = 85 C85 dolichol
ID = 6428 # Bonds = 85 (25<i>S</i>)-3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA
ID = 11220 # Bonds = 85 3-oxo-24-ethyl-cholest-4,24-dien-26-oyl-CoA
ID = 9290 # Bonds = 85 (24<i>R</i>,25<i>R</i>)-3α,7α,24-trihydroxy-5β-cholestanoyl CoA
ID = 2930 # Bonds = 85 3-oxo-24-ethyl-cholest-4-en-26-oyl-CoA
ID = 3871 # Bonds = 85 (25<i>R</i>)-3α,7α,12α-trihydroxy-5β-cholestanoyl-CoA
ID = 9016 # Bonds = 85 tetra-acyl estolide
ID = 2385 # Bonds = 85 avenacin B-1
ID = 962 # Bonds = 85 premithramycin B
ID = 7008 # Bonds = 85 des-methyl avenacin A-1
ID = 10126 # Bonds = 85 PAP-malonyl-CoA
ID = 10555 # Bonds = 86 aeruginopeptin 95A
ID = 9260 # Bonds = 86 3α,7α,12α-trihydroxy-24-oxo-5-β-cholestanoyl CoA
ID = 218 # Bonds = 86 oleanolate-3-beta-D-glucuronoside-(3,1)-galactoside-(4,1)-glucoside-28-glucoside
ID = 9864 # Bonds = 86 (24<i>R</i>,25<i>R</i>)-3α,7α,12α,24-tetrahydroxy-5β-cholestanoyl CoA
ID = 5792 # Bonds = 86 gentiodelphin
ID = 11305 # Bonds = 86 bicornin
ID = 280 # Bonds = 86 aeruginopeptin 95B
ID = 9739 # Bonds = 86 gramicidin S
ID = 1790 # Bonds = 86 premithramycin B lactone
ID = 6437 # Bonds = 86 polymyxin B1
ID = 9499 # Bonds = 86 syringomycin E
ID = 1453 # Bonds = 86 avenacin A-1
ID = 9830 # Bonds = 86 A-90289 B
ID = 695 # Bonds = 87 β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol
ID = 4737 # Bonds = 87 vancomycin aglycone
ID = 8438 # Bonds = 88 anidulafungin
ID = 10995 # Bonds = 88 coumermycin A1
ID = 5619 # Bonds = 88 macabarterin
ID = 3721 # Bonds = 88 3-oxo-24-(isopropanoyl)-cholest-4,24-dien-26-oyl-CoA
ID = 10085 # Bonds = 88 A-90289 A
ID = 7302 # Bonds = 88 C80 dolichol diphosphate
ID = 1623 # Bonds = 88 <i>di-trans, poly-cis</i>-polyprenyl diphosphate (C<sub>80</sub>)
ID = 156 # Bonds = 89 3-oxo-24-hydroxy-24-(isopropanoate)-cholest-4-en-26-oyl-CoA
ID = 9957 # Bonds = 89 C85 dolichol phosphate
ID = 11514 # Bonds = 89 rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate
ID = 3957 # Bonds = 89 methanofuran e
ID = 4276 # Bonds = 89 inositol phosphomannosylinositol phosphoceramide A (C24)
ID = 6856 # Bonds = 90 C90 dolichol
ID = 2638 # Bonds = 90 XXLG xyloglucan oligosaccharide
ID = 8260 # Bonds = 90 triglyceride estolide
ID = 2666 # Bonds = 90 β-D-glucosyl-(1→3)-<i>N</i>-acetyl-α-D-glucosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 11635 # Bonds = 90 β-D-glucosyl-(1→4)-<i>N</i>-acetyl-α-D-glucosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 8319 # Bonds = 90 inositol phosphomannosylinositol phosphoceramide B (C24)
ID = 11427 # Bonds = 90 chromomycin A<sub>3</sub>
ID = 10332 # Bonds = 90 XLXG xyloglucan oligosaccharide
ID = 847 # Bonds = 90 inositol phosphomannosylinositol phosphoceramide B' (C24)
ID = 9044 # Bonds = 90 β-D-galactosyl-(1→3)-<i>N</i>-acetyl-α-D-glucosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 7155 # Bonds = 90 β-D-galactosyl-(1→4)-<i>N</i>-acetyl-α-D-glucosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 3512 # Bonds = 90 UDP-<i>N</i>-acetylmuramoyl-L-alanyl-D-glutamyl-N<sup>6</sup>-(L-alanyl-L-seryl)-L-lysyl-D-alanyl-D-alanine
ID = 4966 # Bonds = 90 β-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 6785 # Bonds = 91 inositol phosphomannosylinositol phosphoceramide A (C26)
ID = 761 # Bonds = 91 cardiolipin (tetrahexadecanoyl, n-C16:0)
ID = 5774 # Bonds = 91 olivomycin A
ID = 9145 # Bonds = 91 violdelphin
ID = 1547 # Bonds = 91 inositol phosphomannosylinositol phosphoceramide C (C24)
ID = 2359 # Bonds = 91 formyl-methanofuran e
ID = 2041 # Bonds = 92 O-acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate
ID = 11055 # Bonds = 92 inositol phosphomannosylinositol phosphoceramide D (C24)
ID = 9214 # Bonds = 92 inositol phosphomannosylinositol phosphoceramide B' (C26)
ID = 1181 # Bonds = 92 caldarcheaol
ID = 11377 # Bonds = 92 tetraacyldisaccharide 4-phosphate
ID = 3189 # Bonds = 92 lipid A disaccharide
ID = 4620 # Bonds = 92 acetyl-methanofuran e
ID = 722 # Bonds = 92 galactosaminyl-α1,3-<i>N,N'</i>-diacetylbacillosaminyl-α1-diphospho-<i>di-trans,octa-cis</i>-undecaprenol
ID = 8788 # Bonds = 92 inositol phosphomannosylinositol phosphoceramide B (C26)
ID = 5829 # Bonds = 92 glucosaminyl-α1,3-<i>N,N'</i>-diacetylbacillosaminyl-α1-diphospho-<i>di-trans,octa-cis</i>-undecaprenol
ID = 10654 # Bonds = 93 amphomycin
ID = 6330 # Bonds = 93 ECO-02301
ID = 8717 # Bonds = 93 inositol phosphomannosylinositol phosphoceramide C (C26)
ID = 9302 # Bonds = 93 2,3-diacetamido-2,3-dideoxy-α-D-uronateglucosyl-(β1→3)-<i>N</i>-acetyl-α-D-glucosaminyl-(C55 ω-saturated dolichyl phosphate)
ID = 2528 # Bonds = 93 <i>N</i>-acetyl-β-D-mannosaminyl-(1→4)-<i>N</i>-acetyl-α-D-glucosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 6996 # Bonds = 93 C85 dolichol diphosphate
ID = 4467 # Bonds = 93 <i>N</i>-acetyl-α-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 5853 # Bonds = 94 inositol phosphomannosylinositol phosphoceramide D (C26)
ID = 6098 # Bonds = 94 dolichyl D-xylosyl phosphate
ID = 606 # Bonds = 94 C90 dolichol phosphate
ID = 3471 # Bonds = 94 <i>N</i>-acetyl-β-D-mannosaminuronyl-(1→4)-N-acetyl-α-D-glucosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 9168 # Bonds = 95 avenacoside B
ID = 6882 # Bonds = 95 micafungin
ID = 11736 # Bonds = 95 digitonin
ID = 3043 # Bonds = 95 <i>N</i>-acetyl-D-galactosaminyl-α-(1→3)-<i>N,N'</i>-diacetyl-α-D-bacillosaminyl-diphospho-<i>tri-trans,hepta-cis</i>-undecaprenol
ID = 7872 # Bonds = 95 crocetin dineapolitanose ester
ID = 4402 # Bonds = 95 C95 dolichol
ID = 10456 # Bonds = 96 actinomycin D
ID = 6304 # Bonds = 96 ι-neocarrahexaose sulfate
ID = 3826 # Bonds = 96 β-D-galactofuranosyl-(1→4)-α-L-rhamnopyranosyl-(1→3)-N-acetyl-α-D-glucosaminyl-diphospho-trans,octacis-decaprenol
ID = 1255 # Bonds = 96 3-<i>O</i>-trigalloyl-1,2,4,6-tetra-<i>O</i>-β-<i>D</i>-galloylglucose
ID = 10091 # Bonds = 96 actinomycinic monolactone
ID = 5791 # Bonds = 96 actinomycinate
ID = 2008 # Bonds = 96 actinomycin
ID = 4914 # Bonds = 96 lipid IV<sub>A</sub>
ID = 2730 # Bonds = 96 2,4-<i>O</i>-digalloyl-1,3,6-tri-<i>O</i>-β-<i>D</i>-galloylglucose
ID = 3487 # Bonds = 96 desulfo-A47934
ID = 9376 # Bonds = 96 2,3-<i>O</i>-digalloyl-1,4,6-tri-<i>O</i>-β-<i>D</i>-galloylglucose
ID = 6809 # Bonds = 96 γ-cyclodextrin
ID = 9022 # Bonds = 97 dolichyl palmitate
ID = 5628 # Bonds = 97 angiotensin I
ID = 10012 # Bonds = 97 β-D-glucuronate-(1,3)-β-D-glucuronate-(1,3)-hexose-(C55 ω-saturated dolichyl phosphate)
ID = 8808 # Bonds = 97 ferribactin
ID = 9898 # Bonds = 98 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramate
ID = 8935 # Bonds = 98 durhamycin A
ID = 3662 # Bonds = 98 C90 dolichol diphosphate
ID = 5634 # Bonds = 99 desvancoaminyl vancomycin
ID = 8531 # Bonds = 99 C95 dolichol phosphate
ID = 7082 # Bonds = 99 α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol
ID = 1243 # Bonds = 99 pyoverdine I
ID = 7276 # Bonds = 100 C100 dolichol
ID = 6529 # Bonds = 100 A47934
ID = 6309 # Bonds = 101 XXFG xyloglucan oligosaccharide
ID = 6600 # Bonds = 101 CoA-disulfide
ID = 9133 # Bonds = 102 kijanimicin
ID = 10915 # Bonds = 102 prenyl-P-P-GlcNAc-ManNAc-P-Gro
ID = 8639 # Bonds = 102 tetrocarcin A
ID = 6185 # Bonds = 102 XLLG xyloglucan oligosaccharide
ID = 3790 # Bonds = 103 R. sphaeroides lipid A
ID = 9147 # Bonds = 103 C95 dolichol diphosphate
ID = 6140 # Bonds = 103 bleomycin B<sub> 2</sub>
ID = 10501 # Bonds = 103 mannopeptimycin
ID = 2526 # Bonds = 104 glucosyl-O-acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate
ID = 2587 # Bonds = 104 C100 dolichol phosphate
ID = 1685 # Bonds = 104 (galactosaminyl)<sub>2</sub>-<i>N,N'</i>-diacetylbacillosaminyl-α1-diphospho-<i>di-trans,octa-cis</i>-undecaprenol
ID = 3685 # Bonds = 105 C105 dolichol
ID = 8868 # Bonds = 105 β-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 1958 # Bonds = 105 avilamycin A
ID = 2461 # Bonds = 106 trehalose-mono-mycolate
ID = 6337 # Bonds = 106 lipid II<sub>A</sub>
ID = 8506 # Bonds = 108 C100 dolichol diphosphate
ID = 6226 # Bonds = 108 neo-λ-carrahexaose
ID = 1894 # Bonds = 108 β-D-galactofuranosyl-(1→5)-β-D-galactofuranosyl-(1→4)-α-L-rhamnopyranosyl-(1→3)-N-acetyl-α-D-glucosaminyl-diphospho-trans,octacis-decaprenol
ID = 3442 # Bonds = 108 <i>N</i>-acetyl-α-D-fucosyl-(1→4)-<i>N</i>-acetyl-β-D-mannosaminouronyl-(1→4)-<i>N</i>-acetyl-α-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol
ID = 9965 # Bonds = 109 C105 dolichol phosphate
ID = 2157 # Bonds = 109 2-acetamido-2-deoxy-β-uronatemannosyl-(β1→4)-2,3-diacetamido-2,3-dideoxy-α-D-uronateglucosyl-(β1→3)-<i>N</i>-acetyl-α-D-glucosaminyl-(C55 ω-saturated dolichyl phosphate)
ID = 8530 # Bonds = 109 platyconin
ID = 3622 # Bonds = 110 <i>N</i>-acetyl-D-galactosaminyl-α-(1→4)-<i>N</i>-acetyl-D-galactosaminyl-α-(1→3)-<i>N</i>,<i>N</i>'-diacetyl-α-D-bacillosaminyl-diphospho-<i>tritrans,heptacis</i>-undecaprenol
ID = 390 # Bonds = 110 balhimycin
ID = 4549 # Bonds = 110 chloroorienticin B
ID = 4822 # Bonds = 110 β-D-glucuronate-(1,3)-β-D-glucuronate-(1,3)-β-D-glucuronate-(1,3)-hexose-(C55 ω-saturated dolichyl phosphate)
ID = 2161 # Bonds = 110 6-O-mycolyl-trehalose 6-phosphate
ID = 7809 # Bonds = 110 vancomycin
ID = 5769 # Bonds = 111 <i>O</i>-methyl-β-D-glucuronate-(1,3)-β-D-glucuronate-(1,3)-β-D-glucuronate-(1,3)-hexose-(C55 ω-saturated dolichyl phosphate)
ID = 3221 # Bonds = 111 undecaprenyl-diphospho-<i>N</i>-acetylmuramoyl-L-alanyl-γ-D-glutamyl-L-lysyl- D-alanine
ID = 11756 # Bonds = 112 β-D-glucuronate-(1,2)-α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol
ID = 7480 # Bonds = 112 α-Kdo-(2→6)-lipid IV<sub>A</sub>
ID = 5777 # Bonds = 112 α-Kdo8N-(2→6)-lipid IV<sub>A</sub>
ID = 5186 # Bonds = 113 lipid IV<SUB>B</SUB>
ID = 1289 # Bonds = 113 C105 dolichol diphosphate
ID = 9020 # Bonds = 113 XLFG xyloglucan oligosaccharide
ID = 7472 # Bonds = 113 campanin
ID = 912 # Bonds = 113 trehalose-cis-methoxy-mono-mycolate
ID = 8118 # Bonds = 114 moenomycin
ID = 7275 # Bonds = 114 trehalose-cis-keto-mono-mycolate
ID = 9242 # Bonds = 114 decaprenyl-diphospho-<i>N</i>-acetylmuramoyl-pentapeptide
ID = 9605 # Bonds = 114 trehalose-trans-keto-mono-mycolate
ID = 3947 # Bonds = 114 trehalose-trans-methoxy-mono-mycolate
ID = 8930 # Bonds = 116 galactofuranosyl-glucosyl-O-acetyl-rhamanosyl-N-acetylglucosamyl-undecaprenyl diphosphate
ID = 10265 # Bonds = 116 α-L-fucosyl-(1→2)-β-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 1725 # Bonds = 116 6-(L-threonyl)-2-acetamido-2-deoxy-β-uronatemannosyl-(β1→4)-2,3-diacetamido-2,3-dideoxy-α-D-uronateglucosyl-(β1→3)-<i>N</i>-acetyl-α-D-glucosaminyl-(C55 ω-saturated dolichyl phosphate)
ID = 9743 # Bonds = 116 4-<i>O</i>-phospho-α-Kdo-(2→6)-lipid IV<sub>A</sub>
ID = 1805 # Bonds = 116 undecaprenyl-diphospho-<i>N</i>-acetylmuramoyl-L-alanyl-γ-D-glutamyl-L-lysyl- D-alanyl-D-alanine
ID = 9828 # Bonds = 116 4-<i>O</i>-phospho-α-Kdo8N-(2→6)-lipid IV<sub>A</sub>
ID = 1202 # Bonds = 117 6-O-cis-methoxy-mycolyl-trehalose 6-phosphate
ID = 1966 # Bonds = 118 6-O-trans-keto-mycolyl-trehalose 6-phosphate
ID = 7362 # Bonds = 118 6-O-cis-keto-mycolyl-trehalose 6-phosphate
ID = 1069 # Bonds = 118 6-O-trans-methoxy-mycolyl-trehalose 6-phosphate
ID = 4973 # Bonds = 119 undecaprenyldiphospho-<i>N</i>-acetylmuramoyl-L-alanyl-γ-D-glutamyl-<I>meso</I>-2,6-diaminopimeloyl-D-alanyl-D-alanine
ID = 6117 # Bonds = 120 β-D-Gal<i>f</i>-(1->6)-β-D-Gal<i>f</i>-(1->5)-β-D-Gal<i>f</i>-rhamnosyl-<i>N</i>-acetyl-glucosaminyl-decaprenyl diphosphate
ID = 8748 # Bonds = 121 two disacharide linked murein units, tripeptide crosslinked tripeptide (A2pm->A2pm) (middle of chain)
ID = 996 # Bonds = 121 Wedding Bells anthocyanin
ID = 1040 # Bonds = 121 chloroeremomycin
ID = 449 # Bonds = 123 thiostrepton
ID = 1568 # Bonds = 123 lipid II<sub>B</sub>
ID = 573 # Bonds = 123 evernonimycin
ID = 7598 # Bonds = 123 Heavenly Blue antocyanin
ID = 2134 # Bonds = 124 synthetic E. coli lipid A
ID = 4100 # Bonds = 124 α-D-glucosyl-(1,2)-β-D-glucuronate-(1,2)-α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol
ID = 5721 # Bonds = 124 D-Man-β-(1→4)-GlcA-β-(1→2)-D-Man-α-(1→3)-D-Glc-β-(1→4)-D-Glc-α-1-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 10855 # Bonds = 126 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-L-lysyl-D-alanine
ID = 11544 # Bonds = 126 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanine
ID = 3902 # Bonds = 126 two disacharide linked murein units, tripeptide crosslinked tetrapeptide (A2pm->D-ala) (middle of chain)
ID = 2720 # Bonds = 127 D-Man-β-(1→4)-GlcA-β-(1→2)-6-<i>O</i>-acetyl-D-Man-α-(1→3)-D-Glc-β-(1→4)-D-Glc-α-1-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 2938 # Bonds = 128 α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IV<SUB>A</SUB>
ID = 4082 # Bonds = 128 O16 antigen undecaprenyl diphosphate
ID = 8940 # Bonds = 128 α-D-galactosyl-(1→3)-(α-L-fucosyl-(1→2))-β-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 4780 # Bonds = 129 decaprenyl-pyrophosphoryl-(<i>N</i>-acetylglucosamine)-<i>N</i>-acetylmuramyl-(pentapeptide)
ID = 11746 # Bonds = 130 <i>N</i>-acetyl-β-D-mannosyl-(1,4)-β-D-glucoronate-(1,2)-α-<i>N</i>-acetyl-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol
ID = 8356 # Bonds = 130 4,6-CH3(COO-)C-D-Man-β-(1→4)-GlcA-β-(1→2)-D-Man-α-(1→3)-D-Glc-β-(1→4)-D-Glc-α-1-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 3937 # Bonds = 131 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine
ID = 3053 # Bonds = 131 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanyl-D-alanine
ID = 7352 # Bonds = 131 two disacharide linked murein units, tetrapeptide crosslinked tetrapeptide (A2pm->D-ala) (middle of chain)
ID = 10602 # Bonds = 131 two disacharide linked murein units, pentapeptide crosslinked tripeptide (A2pm->A2pm) (middle of chain)
ID = 6837 # Bonds = 132 tannic acid
ID = 9922 # Bonds = 133 6-O-mycolyl-β-D-mannopyranosyl-1-phosphoheptaprenol
ID = 7963 # Bonds = 133 4,6-CH3(COO-)C-D-Man-β-(1→4)-GlcA-β-(1→2)-6-<i>O</i>-acetyl-D-Man-α-(1→3)-D-Glc-β-(1→4)-D-Glc-α-1-diphospho-<i>ditrans,octacis</i>-undecaprenol
ID = 1788 # Bonds = 134 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-N-(β-D-asparatyl)-L-lysyl-D-alanine
ID = 338 # Bonds = 134 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-N-(β-D-asparaginyl)-L-lysyl-D-alanine
ID = 8152 # Bonds = 134 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-glutamyl-<I>meso</I>-2,6-diaminopimeloyl-D-alanyl-D-alanine
ID = 1376 # Bonds = 135 7-O-[2-aminoethoxy(hydroxy)phosphoryl]-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid IV<sub>A</sub>
ID = 8112 # Bonds = 135 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-L-lysyl-(<i>N</i><sup>6</sup>-glycyl)-D-alanyl-D-alanine
ID = 9962 # Bonds = 136 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-N<sup>6</sup>-(L-alanyl)-L-lysyl-D-alanyl-D-alanine
ID = 6482 # Bonds = 136 β-D-glucosyl-(1,6)-α-D-glucosyl-(1,2)-β-D-glucuronate-(1,2)-α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol
ID = 10564 # Bonds = 136 two disacharide linked murein units, pentapeptide crosslinked tetrapeptide (A2pm->D-ala) (middle of chain)
ID = 199 # Bonds = 138 4'-α-L-Ara4<i>N</i>-α-Kdo-(2->4)-α-KDO-(2->6)-lipid IV<SUB>A</SUB>
ID = 6783 # Bonds = 139 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-N-(β-D-asparaginyl)-L-lysyl-D-alanyl-D-alanine
ID = 11696 # Bonds = 139 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-glutamyl-N-(β-D-asparatyl)-L-lysyl-D-alanyl-D-alanine
ID = 2483 # Bonds = 139 gramicidin B
ID = 1787 # Bonds = 139 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-N-(β-D-asparatyl)-L-lysyl-D-alanyl-D-alanine
ID = 9097 # Bonds = 140 6-O-cis-methoxy-mycolyl-β-D-mannopyranosyl-1-phosphoheptaprenol
ID = 5207 # Bonds = 140 Kdo-lipid A
ID = 3470 # Bonds = 140 gramicidin C
ID = 7883 # Bonds = 141 6-O-trans-keto-mycolyl-β-D-mannopyranosyl-1-phosphoheptaprenol
ID = 8387 # Bonds = 141 6-O-cis-keto-mycolyl-β-D-mannopyranosyl-1-phosphoheptaprenol
ID = 9280 # Bonds = 141 UDP-<i>N</i>-acetylmuramoyl-L-alanyl-D-isglutaminyl-N<sup>6</sup>-(L-alanyl-L-alanyl)-L-lysyl-D-alanyl-D-alanine
ID = 1519 # Bonds = 141 6-O-trans-methoxy-mycolyl-β-D-mannopyranosyl-1-phosphoheptaprenol
ID = 3672 # Bonds = 141 alamethicin
ID = 2402 # Bonds = 141 α-Kdo-(2->4)-α-Kdo-(2->6)-(lauroyl)-lipid IV<SUB>A</SUB>
ID = 4013 # Bonds = 142 heptosyl-Kdo<sub>2</sub>-lipid IV<sub>A</sub>
ID = 9453 # Bonds = 143 gramicidin A
ID = 7174 # Bonds = 143 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-L-lysyl-(glycyl)<sub>3</sub>-D-alanyl-D-alanine
ID = 7523 # Bonds = 144 α-Kdo-(2->8)-α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IV<SUB>A</SUB>
ID = 10430 # Bonds = 144 α-Kdo-(2->4)-α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IV<SUB>A</SUB>
ID = 3627 # Bonds = 145 Kdo<SUB>2</SUB>-(palmitoleoyl)-lipid IV<SUB>A</SUB>
ID = 7953 # Bonds = 145 α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IV<SUB>B</SUB>
ID = 4994 # Bonds = 145 Kdo<sub>2</sub>-lipid IV<sub>A</sub> with palmitoleoyl
ID = 8839 # Bonds = 146 teicoplanin
ID = 1431 # Bonds = 147 β-L-rhamnosyl-(1,6)-β-D-glucosyl-(1,6)-α-D-glucosyl-(1,2)-β-D-glucuronate-(1,2)-α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol
ID = 6014 # Bonds = 147 cornusiin E
ID = 2294 # Bonds = 148 trehalose-di-mycolate
ID = 1183 # Bonds = 150 β-L-rhamnosyl-(1,6)-β-D-glucosyl-(1,6)-α-D-glucosyl-(1,2)-β-D-glucuronate-(1,2)-<i>N</i>-acetyl-α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol
ID = 2897 # Bonds = 151 <i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-L-lysyl-(glycyl)<sub>5</sub>-D-alanyl-D-alanine
ID = 11729 # Bonds = 153 β-L-rhamnosyl-(1,6)-β-D-glucosyl-(1,6)-α-D-glucosyl-(1,2)-β-D-glucuronate-(1,2)-<i>N</i>-acetyl-α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-<i>N</i>-acetyl-α-D-glucosyl-diphosphoundecaprenol
ID = 4338 # Bonds = 153 (enterobacterial common antigen)x2 undecaprenyl-diphosphate
ID = 4441 # Bonds = 155 (<i>N</i>-acetylgalactosaminyl)<sub>5</sub>-<i>N,N'</i>-diacetylbacillosaminyl-diphospho-<i>tri-trans,hepta-cis</i>-undecaprenol
ID = 3455 # Bonds = 156 α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A
ID = 7994 # Bonds = 159 ternatin A1
ID = 9218 # Bonds = 160 α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A 1-diphosphate
ID = 857 # Bonds = 160 (Kdo)<SUB>2</SUB>-lipid A, cold adapted
ID = 9367 # Bonds = 160 α-Kdo-(2->8)-[α-Kdo-(2->4)]-α-Kdo-(2->4)-α-Kdo-(2->6)-lipid IV<SUB>A</SUB>
ID = 1535 # Bonds = 162 Glc<sub>2</sub>Man<sub>9</sub>GlcNAc<sub>2</sub>
ID = 2038 # Bonds = 163 7-O-[2-aminoethoxy(hydroxy)phosphoryl]-α-D-Kdo-(2→4)-α-D-Kdo-(2→6)-lipid A
ID = 10918 # Bonds = 167 (<i>N</i>-acetylgalactosaminyl)<sub>2</sub>-(glucosaminyl)-(<i>N</i>-acetylgalactosaminyl)<sub>3</sub>- <i>N,N'</i>-diacetylbacillosaminyl-diphospho-<i>tri-trans,hepta-cis</i>-undecaprenol
ID = 11195 # Bonds = 170 heptosyl-Kdo<sub>2</sub>-lipid A
ID = 2847 # Bonds = 174 Glc<sub>3</sub>Man<sub>9</sub>GlcNAc<sub>2</sub>
ID = 6442 # Bonds = 176 4'-α-L-Ara4<i>N</i>-α-Kdo-(2→4)-α-Kdo-(2→6)-[P4'-α-L-ara4<i>N</i>]-lipid A
ID = 725 # Bonds = 178 (glucosyl)<SUB>3</SUB>-(mannosyl)<SUB>9</SUB>-(<i>N</i>-acetylglucosaminyl)<SUB>2</SUB>-phosphate
ID = 10499 # Bonds = 184 (heptosyl)<sub>2</sub>-Kdo<sub>2</sub>-lipid A
ID = 2471 # Bonds = 185 xanthan dimer
ID = 8247 # Bonds = 188 α, α'-trehalose 6,6'-bismycolate
ID = 4550 # Bonds = 188 phospho-heptosyl-heptosyl-Kdo2-lipidA
ID = 8264 # Bonds = 193 (O16 antigen)x2 undecaprenyl diphosphate
ID = 3930 # Bonds = 196 glucosyl-(heptosyl)<sub>2</sub>-Kdo<sub>2</sub>-lipid A
ID = 5119 # Bonds = 197 three disacharide linked murein units (tetrapeptide crosslinked tetrapeptide (A2pm->D-ala), one uncrosslinked tetrapaptide) (middle of chain)
ID = 11869 # Bonds = 197 three disacharide linked murein units (tetrapeptide crosslinked tetrapeptide (A2pm->D-ala) and tetrapeptide corsslinked tetrapeptide (A2pm->D-ala)) (middle of chain)
ID = 10836 # Bonds = 198 (enterobacterial common antigen)x3 undecaprenyl-diphosphate
ID = 3884 # Bonds = 200 a peptidoglycan dimer (mycobacteria)
ID = 4327 # Bonds = 200 glucosyl-(heptosyl)<sub>2</sub>-Kdo<sub>2</sub>-lipid A-phosphate
ID = 11625 # Bonds = 202 trehalose-cis-methoxy-di-mycolate
ID = 4168 # Bonds = 202 three disacharide linked murein units (pentapeptide crosslinked tetrapeptide (A2pm->D-ala) tetrapeptide corsslinked tetrapeptide (A2pm->D-ala)) (middle of chain)
ID = 11455 # Bonds = 202 heptosyl-phospho-heptosyl-heptosyl-Kdo<sub>2</sub>-lipidA
ID = 2262 # Bonds = 203 melittin
ID = 5350 # Bonds = 204 trehalose-trans-methoxy-di-mycolate
ID = 2133 # Bonds = 204 trehalose-cis-keto-di-mycolate
ID = 9925 # Bonds = 205 a peptidoglycan dimer (<I>meso</I>-diaminopimelate containing)
ID = 11547 # Bonds = 205 a peptidoglycan dimer (tetrapeptide)
ID = 2244 # Bonds = 206 trehalose-trans-keto-di-mycolate
ID = 1601 # Bonds = 206 phospho-heptosyl-phospho-heptosyl-heptosyl-Kdo2-lipidA
ID = 5755 # Bonds = 214 glucosyl-(heptosyl)<sub>3</sub>-Kdo<sub>2</sub>-lipid A-phosphate
ID = 232 # Bonds = 215 a peptidoglycan dimer (E. faeciums)
ID = 10230 # Bonds = 218 glucosyl-(heptosyl)<sub>3</sub>-Kdo<sub>2</sub>-lipid A-bisphosphate
ID = 5358 # Bonds = 222 Kdo-phospho-heptosyl-phospho-heptosyl-heptosyl-Kdo<sub>2</sub>-lipidA
ID = 3578 # Bonds = 230 galactosyl-glucosyl-(heptosyl)<sub>3</sub>-Kdo<sub>2</sub>-lipid A-bisphosphate
ID = 9291 # Bonds = 233 inner core oligosaccharide lipid A (E coli)
ID = 8843 # Bonds = 236 nisin
ID = 1983 # Bonds = 239 a peptidoglycan dimer (S. aureus)
ID = 11628 # Bonds = 242 galactosyl-(glucosyl)<sub>2</sub>-(heptosyl)<sub>3</sub>-Kdo<sub>2</sub>-lipid A-bisphosphate
ID = 2470 # Bonds = 243 (enterobacterial common antigen)x4 undecaprenyl-diphosphate
ID = 3460 # Bonds = 245 glucosyl-inner core oligosaccharide lipid A
ID = 7931 # Bonds = 254 galactosyl-(glucosyl)<sub>3</sub>-(heptosyl)<sub>3</sub>-Kdo<sub>2</sub>-lipid A-bisphosphate
ID = 10317 # Bonds = 257 galactosyl-glucosyl-inner core oligosaccharide lipid A
ID = 9157 # Bonds = 258 (O16 antigen)x3 undecaprenyl diphosphate
ID = 7224 # Bonds = 268 lipid A-core
ID = 900 # Bonds = 269 glucosyl-galactosyl-glucosyl-inner core oligosaccharide lipid A
ID = 11320 # Bonds = 272 lipid A-core 1-diphosphate
ID = 5300 # Bonds = 281 glucosyl-glucosyl-galactosyl-glucosyl-inner core oligosaccharide lipid A
ID = 7849 # Bonds = 295 core oligosaccharide lipid A
ID = 8899 # Bonds = 305 4-amino-4-deoxy-L-arabinose modified core oligosaccharide lipid A
ID = 6948 # Bonds = 312 hepta-acylated core oligosaccharide lipid A
ID = 4743 # Bonds = 322 a peptidoglycan with L,D cross-links (mycobacteria)
ID = 7678 # Bonds = 322 a peptidoglycan with D,D cross-links (mycobacteria)
ID = 9049 # Bonds = 323 (O16 antigen)x4 undecaprenyl diphosphate
ID = 11314 # Bonds = 327 a peptidoglycan tetramer with L,D cross-links (L-lys-D-Asn-L-Lys)
ID = 8954 # Bonds = 347 a peptidoglycan with D,D cross-link (E. faecium)
ID = 1103 # Bonds = 395 a peptidoglycan with D,D cross-link (S. aureus)
ID = 10542 # Bonds = 405 a peptidoglycan with D,D cross-links (<I>meso</I>-diaminopimelate containing)
ID = 7354 # Bonds = 444 [β-D-galactofuranosyl-(1→5)-β-D-galactofuranosyl-(1→6)]<sub>14</sub>-β-D-galactofuranosyl-(1→5)-β-D-galactofuranosyl-(1→4)--L-rhamnopyranosyl-(1→3)-N-acetyl-α-D-glucosaminyl-diphospho-trans,octacis-decaprenol
ID = 10974 # Bonds = 474 mycobacterial arabinogalactan primed with arabinofuran
ID = 6741 # Bonds = 475 (enterobacterial common antigen)x4 core oligosaccharide lipid A
ID = 10354 # Bonds = 555 (O16 antigen)x4 core oligosaccharide lipid A
ID = 9013 # Bonds = 774 mycobacterial arabinogalactan containing α(1->3) arabinofuran linkages
ID = 3919 # Bonds = 924 mycobacterial arabinogalactan containing α(1->3) and β(1->2) arabinofuran linkages
ID = 652 # Bonds = 984 mycobacterial arabinogalactan containing linear arabinofuran
ID = 11479 # Bonds = 994 mycobacterial arabinogalactan containing extended α(1->3) arabinofuran linkages
In [71]:
# >>> b1 = [1,2,3,4,5,9,11,15]
# >>> b2 = [4,5,6,7,8]
# >>> set(b1).intersection(b2)
# set([4, 5])
# made_keys = set(inchi_keys).intersection(ik)
# print len(made_keys)
# diff_set = set(inchi_keys) - set(ik)
# made_keys = set(inchi_keys).intersection(original_ik)
# print len(made_keys)
# made_keys = set(ik).intersection(original_ik)
# print len(made_keys)
# indices = [ ind_dict[x] for x in inter ]
7729
Out[71]:
3981
In [8]:
# all_my_h5_files = glob.glob('/project/projectdirs/openmsi/projects/pactolus_trees/*_hdf5_5_*.h5')
all_compounds = []
for myCompound in metacyc_compounds:
myMol = Chem.MolFromInchi(myCompound['InChI'])
try:
myCharge = Chem.GetFormalCharge(myMol)
if myCharge != 0:
(myMol, neutralised) = NeutraliseCharges(myMol)
if neutralised == True:
all_compounds.append(Chem.MolToInchi(myMol))
# if neutralised == False:
# print neutralised, myCompound['Common-Name']
# print rdMolDescriptors.CalcMolFormula(neutral_mol)
except:
print "Can not parse ", myCompound['Common-Name'], myCompound['InChI']
print len(all_compounds)
Can not parse chlorite InChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1
Can not parse methanetelluronate InChI=1S/CH4O3Te/c1-5(2,3)4/h1H3,(H,2,3,4)/p-1
Can not parse choline sulfate InChI=1S/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3
Can not parse chlorate InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)
Can not parse tellurite InChI=1S/H2O3Te/c1-4(2)3/h(H2,1,2,3)/p-2
Can not parse dichlorocarbene InChI=1S/CCl2/c2-1-3
5732
In [38]:
myMol.GetNumBonds()
Out[38]:
51
In [37]:
fid = open('actinorhodin_inchi.txt','wb')
for m in all_compounds:
if m == neutral_inchi:
print m.GetNumBonds()
fid.write('%s\n'%m)
fid.close()
---------------------------------------------------------------------------
AttributeError Traceback (most recent call last)
<ipython-input-37-4d458c4258e4> in <module>()
2 for m in all_compounds:
3 if m == neutral_inchi:
----> 4 print m.GetNumBonds()
5 fid.write('%s\n'%m)
6 fid.close()
AttributeError: 'str' object has no attribute 'GetNumBonds'
In [46]:
fid = open('neutralized_molecule_inchis_remaining_small.txt','wb')
for m in all_compounds:
done_already = 0
ik = Chem.InchiToInchiKey(m)
myMol = Chem.MolFromInchi(m)
nb = myMol.GetNumBonds()
for k in inchi_keys:
if ik == k and nb < 20:
done_already = 1
if done_already == 0:
fid.write('%s\n'%m)
else:
print "done already"
fid.close()
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In [11]:
inchi = 'InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)/p-2/t9-,10-,11+,12+/m1/s1'
myMol = Chem.MolFromInchi(inchi)
inchi_key = Chem.InchiToInchiKey(inchi)
print inchi_key
myCharge = Chem.GetFormalCharge(myMol)
if myCharge != 0:
(myMol, neutralised) = NeutraliseCharges(myMol)
neutral_inchi = Chem.MolToInchi(myMol)
print neutral_inchi
neutral_inchi_key = Chem.InchiToInchiKey(neutral_inchi)
print neutral_inchi_key
# inchi_keys.index(neutral_inchi_key)
ik.index(neutral_inchi_key)
VTIKDEXOEJDMJP-WYUUTHIRSA-L
InChI=1S/C32H26O14/c1-9-21-15(3-11(45-9)5-19(35)36)29(41)23-17(33)7-13(27(39)25(23)31(21)43)14-8-18(34)24-26(28(14)40)32(44)22-10(2)46-12(6-20(37)38)4-16(22)30(24)42/h7-12,33-34,39-40H,3-6H2,1-2H3,(H,35,36)(H,37,38)
VTIKDEXOEJDMJP-UHFFFAOYSA-N
Out[11]:
6717
In [ ]:
In [3]:
import tables
import numpy as np
In [38]:
my_run = metob.retrieve('lcmsrun', name='%20150910_C18_MeOH_NEG_MSMS_Scoelicolor_media_Ref_TwoNine_Day3_3of4___Run53%')
print my_run
[{'creation_time': '2015-09-20T03:35:03',
'description': u'20150914_actinorhodin_finalset_50mm 20150910_C18_MeOH_NEG_MSMS_Scoelicolor_media_Ref_TwoNine_Day3_3of4___Run53.mzML',
'hdf5_file': u'/project/projectdirs/metatlas/raw_data/kblouie/20150914_actinorhodin_finalset_50mm/20150910_C18_MeOH_NEG_MSMS_Scoelicolor_media_Ref_TwoNine_Day3_3of4___Run53.h5',
'head_id': u'ac236419df994a32902c3cd37072d127',
'last_modified': '2015-10-08T18:32:38',
'method': None,
'mzml_file': u'/project/projectdirs/metatlas/raw_data/kblouie/20150914_actinorhodin_finalset_50mm/20150910_C18_MeOH_NEG_MSMS_Scoelicolor_media_Ref_TwoNine_Day3_3of4___Run53.mzML',
'name': u'20150910_C18_MeOH_NEG_MSMS_Scoelicolor_media_Ref_TwoNine_Day3_3of4___Run53.mzML',
'prev_uid': u'origin',
'sample': None,
'unique_id': u'ac236419df994a32902c3cd37072d127',
'username': u'kblouie'}]
In [50]:
with tables.open_file(my_run[0].hdf5_file) as fid:
data = h5q.get_data(fid,2,0,min_rt = 5.1,max_rt = 7.9,min_precursor_MZ=633.12,max_precursor_MZ = 633.2)
print data['rt']
[ 7.5419445 7.5419445 7.5419445 7.5419445 7.5419445 7.5419445
7.5419445 7.5419445 7.5419445 7.5419445 7.5419445 7.5419445
7.5419445 7.5419445 7.5419445 7.5419445 7.5419445 7.5419445
7.5419445 7.5419445 7.5419445 7.5419445 7.5419445 7.5419445
7.5419445 7.5419445 7.5419445 7.5419445 7.5419445 7.5419445
7.5419445 7.5419445 7.5419445 7.5419445 7.5419445 7.5419445
7.5419445 7.5419445 7.5419445 7.5419445 7.5419445 7.5419445
7.5419445 7.5419445 7.5419445 7.5419445 7.72450113 7.72450113
7.72450113 7.72450113 7.72450113 7.72450113 7.72450113 7.72450113
7.72450113 7.72450113 7.72450113 7.72450113 7.72450113 7.72450113
7.72450113 7.72450113 7.72450113 7.72450113 7.72450113 7.72450113
7.72450113 7.72450113 7.72450113 7.72450113 7.72450113 7.72450113
7.72450113 7.72450113 7.72450113 7.72450113 7.72450113 7.72450113
7.72450113]
In [51]:
def get_unique_scan_data(data):
"""
Input:
data - numpy nd array containing MSMS data
Output:
rt - retention time of scan
pmz - precursor m/z of scan
Both are sorted by descending precursor ion intensity
for data returned from h5query.get_data(),
return the retention time and precursor m/z
sorted by descending precursor ion intensity
"""
urt,idx = np.unique(data['rt'],return_index=True)
idx
sx = np.argsort(data['precursor_intensity'][idx])[::-1]
prt = data['rt'][idx[sx]]
pmz = data['precursor_MZ'][idx[sx]]
return prt,pmz
def get_non_redundant_precursor_list(prt,pmz,rt_cutoff,mz_cutoff):
"""
Input:
rt - retention time of scan
pmz - precursor m/z of scan
Both are sorted by descending precursor ion intensity
rt_cutoff -
mz_cutoff -
Output:
list_of_prt - list of
list_of_pmz - list of
"""
list_of_pmz = [] #contains list of precursor m/z [pmz1,pmz2,...,pmz_n]
list_of_prt = [] #contains list of precursor rt [prt1,prt2,...,prt_n]
for i in range(len(prt)):
if len(list_of_pmz) == 0:
# none are in the list yet; so there is nothing to check
list_of_pmz.append(pmz[i])
list_of_prt.append(prt[i])
else:
# check if new rt qualifies for inclusion
if min(abs(list_of_prt - prt[i])) > rt_cutoff or min(abs(list_of_pmz - pmz[i])) > mz_cutoff:
list_of_pmz.append(pmz[i])
list_of_prt.append(prt[i])
return list_of_prt,list_of_pmz
In [52]:
prt,pmz = get_unique_scan_data(data)
rt_cutoff = 0.23
mz_cutoff = 0.05
list_of_prt,list_of_pmz = get_non_redundant_precursor_list(prt,pmz,rt_cutoff,mz_cutoff)
In [53]:
#setup data format for searching
pactolus_input = {}
pactolus_input['spectra'] = []
pactolus_input['precursor_mz'] = []
for i,(prt,pmz) in enumerate(zip(list_of_prt,list_of_pmz)):
idx = np.argwhere((data['precursor_MZ'] == pmz) & (data['rt'] == prt )).flatten()
arr = np.array([data['mz'][idx], data['i'][idx]]).T
pactolus_input['spectra'].append(arr)
pactolus_input['precursor_mz'].append(pmz)
pactolus_input
Out[53]:
{'precursor_mz': [633.12708],
'spectra': [array([[ 6.02219849e+01, 5.13611426e+03],
[ 6.45197067e+01, 5.31844141e+03],
[ 6.98501816e+01, 5.67258447e+03],
[ 7.65564728e+01, 5.86723633e+03],
[ 1.02837791e+02, 6.63435449e+03],
[ 1.95310944e+02, 6.94508936e+03],
[ 1.95346817e+02, 5.35564795e+03],
[ 2.30951797e+02, 6.08355859e+03],
[ 2.58053192e+02, 1.16679834e+04],
[ 2.59062347e+02, 4.59729961e+04],
[ 2.73077271e+02, 7.24596094e+04],
[ 2.85077332e+02, 2.16664453e+04],
[ 3.07239838e+02, 5.24816797e+03],
[ 4.58103638e+02, 4.89963672e+04],
[ 4.60081451e+02, 3.66318633e+04],
[ 4.66106598e+02, 9.99861328e+03],
[ 4.67118042e+02, 7.16287158e+03],
[ 4.81088440e+02, 9.08090332e+03],
[ 4.83109131e+02, 1.46352406e+05],
[ 4.84119049e+02, 8.25898203e+04],
[ 4.85128876e+02, 4.34224219e+04],
[ 4.86096375e+02, 1.41140562e+05],
[ 4.88110260e+02, 1.09656885e+04],
[ 4.91111481e+02, 7.50981738e+03],
[ 4.98096252e+02, 3.90590703e+04],
[ 5.01120361e+02, 2.49719703e+05],
[ 5.02124176e+02, 2.99160117e+04],
[ 5.03139282e+02, 2.03241855e+04],
[ 5.04109619e+02, 7.30114531e+04],
[ 5.09125122e+02, 1.39737781e+05],
[ 5.12112244e+02, 1.30703898e+05],
[ 5.15095886e+02, 1.27436611e+04],
[ 5.27135925e+02, 6.96762938e+05],
[ 5.30123108e+02, 2.17331531e+05],
[ 5.31119324e+02, 6.42012109e+03],
[ 5.43092346e+02, 1.09529971e+04],
[ 5.45154175e+02, 2.32297984e+05],
[ 5.46117981e+02, 6.22249805e+04],
[ 5.47124756e+02, 1.38596689e+04],
[ 5.48097168e+02, 2.43663344e+05],
[ 5.71124634e+02, 1.05528477e+05],
[ 5.74113586e+02, 9.96611719e+04],
[ 5.89136414e+02, 2.05418075e+06],
[ 5.90123657e+02, 4.34102188e+04],
[ 6.33126465e+02, 1.17730050e+06],
[ 6.34134155e+02, 9.05391094e+04]], dtype=float32)]}
In [46]:
%matplotlib inline
plt.vlines(pactolus_input['spectra'][0][:,0],
np.zeros(pactolus_input['spectra'][0][:,1].shape),
pactolus_input['spectra'][0][:,1],
color='k',linestyles='solid')
plt.show()
In [10]:
# # print data['precursor_MZ']
# # print data['rt']
# # data['mz']
# # data['i']
# # data['precursor_MZ']
# # idx = np.argsort(data['precursor_intensity'])[::-1]
# # data['precursor_intensity'][idx]
# # data['collision_energy']
print list_of_pmz
print list_of_prt
# print len(pmz)
[633.12671]
[7.6977539]
In [71]:
# print len(list_of_pmz_rt)
# print list_of_pmz_rt
In [72]:
# arr = np.array([data['mz'], data['i']]).T
#
# other_arr = np.array([other_data['mz'], other_data['i']]).T
In [60]:
# all_my_h5_files = glob.glob('/project/projectdirs/openmsi/projects/pactolus_trees/*VTIKDEXOEJDMJP-WYUUTHIRSA-L*.h5')
for f in all_my_h5_files:
if "VTIKDEXOEJDMJP" in f:
print f
In [66]:
tree_table = np.load(maxdepth_5_table)
for t in tree_table:
if abs(t[1] - 634.132255544) < 1:
print t
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_CCDRPBGPIXPGRW-UHFFFAOYSA-N.h5', 634.4080834360016)
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_WJMMBVSOQPALFO-BHYGPSQDSA-N.h5', 634.4080834360016)
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_NARQRJFIZNOSJV-UHFFFAOYSA-N.h5', 634.4080834360016)
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_GJIGVPBRJFOUGD-SSQLMYNASA-N.h5', 634.4749812240018)
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_HRUXIQZFNLQZQA-UHFFFAOYSA-N.h5', 635.0877176640005)
In [55]:
pos_mode_neutralizations = [-1.00727646677, -(1.00727646677+1.00782504), +5.4857990946e-4,]
neg_mode_neutralizations = [-el for el in pos_mode_neutralizations]
# make lookup table
path_to_trees = '/project/projectdirs/openmsi/projects/pactolus_trees/'
all_my_h5_files = glob.glob('/project/projectdirs/openmsi/projects/pactolus_trees/*_hdf5_5_*.h5')
my_tree_filename = 'metacyc_max_depth_5'
if not os.path.isfile(os.path.join(path_to_trees, my_tree_filename + '.npy')):
score_frag_dag.make_file_lookup_table_by_MS1_mass(all_my_h5_files,
path=path_to_trees,
save_result='metacyc_max_depth_5')
maxdepth_5_table = os.path.join(path_to_trees, my_tree_filename + '.npy')
params = {'file_lookup_table': maxdepth_5_table,
'ms1_mass_tol': 0.05,
'ms2_mass_tol': 0.05,
'neutralizations': neg_mode_neutralizations,
'max_depth': 5,
}
print neg_mode_neutralizations
[1.00727646677, 2.0151015067699998, -0.00054857990946]
In [49]:
pactolus_input
Out[49]:
{'precursor_mz': [633.12708],
'spectra': [array([[ 6.02219849e+01, 5.13611426e+03],
[ 6.45197067e+01, 5.31844141e+03],
[ 6.98501816e+01, 5.67258447e+03],
[ 7.65564728e+01, 5.86723633e+03],
[ 1.02837791e+02, 6.63435449e+03],
[ 1.95310944e+02, 6.94508936e+03],
[ 1.95346817e+02, 5.35564795e+03],
[ 2.30951797e+02, 6.08355859e+03],
[ 2.58053192e+02, 1.16679834e+04],
[ 2.59062347e+02, 4.59729961e+04],
[ 2.73077271e+02, 7.24596094e+04],
[ 2.85077332e+02, 2.16664453e+04],
[ 3.07239838e+02, 5.24816797e+03],
[ 4.58103638e+02, 4.89963672e+04],
[ 4.60081451e+02, 3.66318633e+04],
[ 4.66106598e+02, 9.99861328e+03],
[ 4.67118042e+02, 7.16287158e+03],
[ 4.81088440e+02, 9.08090332e+03],
[ 4.83109131e+02, 1.46352406e+05],
[ 4.84119049e+02, 8.25898203e+04],
[ 4.85128876e+02, 4.34224219e+04],
[ 4.86096375e+02, 1.41140562e+05],
[ 4.88110260e+02, 1.09656885e+04],
[ 4.91111481e+02, 7.50981738e+03],
[ 4.98096252e+02, 3.90590703e+04],
[ 5.01120361e+02, 2.49719703e+05],
[ 5.02124176e+02, 2.99160117e+04],
[ 5.03139282e+02, 2.03241855e+04],
[ 5.04109619e+02, 7.30114531e+04],
[ 5.09125122e+02, 1.39737781e+05],
[ 5.12112244e+02, 1.30703898e+05],
[ 5.15095886e+02, 1.27436611e+04],
[ 5.27135925e+02, 6.96762938e+05],
[ 5.30123108e+02, 2.17331531e+05],
[ 5.31119324e+02, 6.42012109e+03],
[ 5.43092346e+02, 1.09529971e+04],
[ 5.45154175e+02, 2.32297984e+05],
[ 5.46117981e+02, 6.22249805e+04],
[ 5.47124756e+02, 1.38596689e+04],
[ 5.48097168e+02, 2.43663344e+05],
[ 5.71124634e+02, 1.05528477e+05],
[ 5.74113586e+02, 9.96611719e+04],
[ 5.89136414e+02, 2.05418075e+06],
[ 5.90123657e+02, 4.34102188e+04],
[ 6.33126465e+02, 1.17730050e+06],
[ 6.34134155e+02, 9.05391094e+04]], dtype=float32)]}
In [48]:
foo = score_frag_dag.score_scan_list_against_trees(pactolus_input['spectra'], pactolus_input['precursor_mz'], params)
np.argmax(foo)
Out[48]:
0
In [33]:
my_db = '/project/projectdirs/openmsi/projects/meta-iq/pactolus/data/' + 'MetaCyc.mdb'
pactolus_results = score_frag_dag.make_pactolus_hit_table(foo, maxdepth_5_table, original_db=my_db)
In [37]:
for r in pactolus_results:
if len(r)>0:
print r[0]
(0.7875834703445435, 'MetaCyC_10461', 'ethyl red', 297.1477355957031, 0, 0)
(0.9809126853942871, 'MetaCyC_7413', 'emodin', 270.0528259277344, 0, 0)
(0.0572817325592041, 'MetaCyC_1181', '(1<i>S</i>,6<i>R</i>)-2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate', 240.06338500976562, 0, 0)
(0.23310670256614685, 'MetaCyC_1416', 'tetrachloroethene', 163.8754119873047, 0, 0)
(0.5957505702972412, 'MetaCyC_8529', 'levoglucosan', 162.05282592773438, 0, 0)
(0.0007101739174686372, 'MetaCyC_6396', '2-12:0-lysoPG', 428.217529296875, 0, 0)
(0.33812853693962097, 'MetaCyC_752', 'pentachloroethane', 199.85208129882812, 0, 0)
(0.7275602221488953, 'MetaCyC_9299', 'cortolone', 366.2406311035156, 0, 0)
(1.4161595106124878, 'MetaCyC_7168', '1D-<i>chiro</i>-inositol', 180.06338500976562, 0, 0)
(0.12381210178136826, 'MetaCyC_6694', "3-(2'-methylthio)ethylmalic-acid", 208.04054260253906, 0, 0)
(0.21038520336151123, 'MetaCyC_7088', '3-dehydroteasterone', 446.339599609375, 0, 0)
(0.8556255102157593, 'MetaCyC_7758', 'L-serine-phosphoethanolamine', 228.05111694335938, 0, 0)
(1.1637345552444458, 'MetaCyC_1023', 'all-<i>trans</i>-geranylgeranylcysteine', 393.2701416015625, 0, 0)
(0.1808895319700241, 'MetaCyC_6502', '1-20:2-2-18:2-phosphatidylethanolamine', 767.5465087890625, 0, 0)
(0.4854579269886017, 'MetaCyC_4595', 'methyl pyruvate', 102.03169250488281, 0, 0)
(0.7690903544425964, 'MetaCyC_208', 'glucuronamide', 193.0586395263672, 0, 0)
(0.906912624835968, 'MetaCyC_3299', 'sodium dodecyl sulfate', 266.1551818847656, 0, 0)
(0.9160449504852295, 'MetaCyC_802', 'reduced 3-acetylpyridine adenine dinucleotide', 664.1295166015625, 0, 0)
(0.9478674530982971, 'MetaCyC_8110', 'UDP-2,4-diacetamido-2,4,6-trideoxy-β-L-altropyranose', 632.1132202148438, 0, 0)
(0.6281113028526306, 'MetaCyC_5382', '(R)-3,4-dihydroxymandelonitrile', 165.04258728027344, 0, 0)
(0.3608606159687042, 'MetaCyC_9406', '7-dehydroporiferasterol', 410.3548583984375, 0, 0)
(0.02890894003212452, 'MetaCyC_1629', '1,1,1,2-tetrachloroethane', 165.8910675048828, 0, 0)
(0.082353875041008, 'MetaCyC_9446', '4α-hydroxymethyl,4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(24<sup>1</sup>', 456.396728515625, 0, 0)
(0.7915668487548828, 'MetaCyC_8521', 'D-glyceraldehyde', 90.03169250488281, 0, 0)
(0.644523561000824, 'MetaCyC_1281', 'EHNA', 277.19024658203125, 0, 0)
(0.26264336705207825, 'MetaCyC_3059', '2-(hydroxymethyl)-3-(acetamidomethylene)succinate', 217.0586395263672, 0, 0)
(0.9409633874893188, 'MetaCyC_4010', 'questin', 284.0684814453125, 0, 0)
(0.09281157702207565, 'MetaCyC_7053', '(+)-7-<i>iso</i>-jasmonoyl-L-isoleucine', 323.20965576171875, 0, 0)
(0.7696071267127991, 'MetaCyC_5079', 'L-palmitoylcarnitine', 399.3348693847656, 0, 0)
(0.5365105271339417, 'MetaCyC_7572', 'parabanate', 114.00653839111328, 0, 0)
(0.04719662666320801, 'MetaCyC_302', 'porphobilinogen', 226.09535217285156, 0, 0)
(0.5514329671859741, 'MetaCyC_123', '12-hydroxydihydrochelirubine', 379.1055908203125, 0, 0)
(0.2572994828224182, 'MetaCyC_250', '(25<i>R</i>)-3α,7α-dihydroxy-5β-cholestan-26-al', 418.3446960449219, 0, 0)
(1.6318769454956055, 'MetaCyC_563', '(3R)-3-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol', 274.0841369628906, 0, 0)
(0.3252941071987152, 'MetaCyC_1254', 'chloroform', 117.91438293457031, 0, 0)
(0.7353898286819458, 'MetaCyC_6936', '17-hydroxy-octadecenoate', 298.25079345703125, 0, 0)
(0.006075924262404442, 'MetaCyC_7782', '<i>N</i>-(3-oxododecanoyl)-L-homoserine', 315.2045593261719, 0, 0)
(0.5478740930557251, 'MetaCyC_3660', 'calcitroate', 374.2456970214844, 0, 0)
(0.8381285071372986, 'MetaCyC_4351', 'freon 11', 135.90496826171875, 0, 0)
(0.07402956485748291, 'MetaCyC_6563', 'psychosine', 461.33526611328125, 0, 0)
(1.1601364612579346, 'MetaCyC_2324', 'CMP-<i>N</i>-glycoloyl-β-neuraminate', 630.1422119140625, 0, 0)
(0.1694522202014923, 'MetaCyC_1462', '1,1,1-trichloroethane', 131.93003845214844, 0, 0)
(0.48392340540885925, 'MetaCyC_2289', '2-deoxyribonolactone', 132.04225158691406, 0, 0)
(0.5110822916030884, 'MetaCyC_6421', '1-18:2-2-18:2-phosphatidate', 696.4730224609375, 0, 0)
(0.7400855422019958, 'MetaCyC_4316', 'ascopyrone M', 144.04225158691406, 0, 0)
(0.05742281302809715, 'MetaCyC_110', '17-O-deacetylvindoline', 414.2154846191406, 0, 0)
(0.2741040587425232, 'MetaCyC_114', 'aurachin-C', 379.2511291503906, 0, 0)
(0.3488742709159851, 'MetaCyC_9459', '7-dehydrodesmosterol', 382.3235778808594, 0, 0)
(1.112168788909912, 'MetaCyC_8111', 'UDP-2,3-diacetamido-2,3-dideoxy-α-D-mannuronate', 662.08740234375, 0, 0)
(0.6653583645820618, 'MetaCyC_1211', 'norajmaline', 312.18377685546875, 0, 0)
(0.5750381350517273, 'MetaCyC_4707', 'dephospho-CoA', 687.1488647460938, 0, 0)
(0.0004771294188685715, 'MetaCyC_7744', 'L-threonine O-3-phosphate', 199.02456665039062, 0, 0)
(0.9018236398696899, 'MetaCyC_6315', 'zealexin A1', 234.1619873046875, 0, 0)
(0.5939044952392578, 'MetaCyC_8182', 'GDP-4-amino-4,6-dideoxy-α-D-<i>N</i>-acetylglucosamine', 629.124755859375, 0, 0)
(0.9020643830299377, 'MetaCyC_7881', 'L-proline', 115.0633316040039, 0, 0)
(0.0688503235578537, 'MetaCyC_486', 'secologanin', 388.1369323730469, 0, 0)
(0.07784868776798248, 'MetaCyC_2614', 'demethylsulochrin', 318.0739440917969, 0, 0)
(0.5517419576644897, 'MetaCyC_2145', '15-hydroxypentadecanoate', 258.219482421875, 0, 0)
(0.3632138669490814, 'MetaCyC_6031', '10β,14β-dihydroxytaxa-4(20),11-dien-5α-yl acetate', 362.2456970214844, 0, 0)
(0.7515400648117065, 'MetaCyC_920', '(+)-larreatricin', 284.1412353515625, 0, 0)
(0.31099697947502136, 'MetaCyC_8016', 'arbekacin', 552.3118896484375, 0, 0)
(0.304311603307724, 'MetaCyC_781', '3-pyridinesulfonate', 158.99900817871094, 0, 0)
(0.4679942727088928, 'MetaCyC_5529', '3-nitro-1-propionate', 119.02185821533203, 0, 0)
(0.2907801568508148, 'MetaCyC_4490', '2,5-dichloro-<i>p</i>-quinone', 175.9431915283203, 0, 0)
(0.0681682750582695, 'MetaCyC_9464', '4α-hydroxymethyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol', 428.36541748046875, 0, 0)
(0.21706172823905945, 'MetaCyC_5867', 'medicagenate', 502.3294372558594, 0, 0)
(0.42557573318481445, 'MetaCyC_3559', '10β-hydroxytaxa-4(20),11-dien-5α-yl acetate', 346.25079345703125, 0, 0)
In [50]:
233.15416+1.00727646677
Out[50]:
234.16143646677
In [51]:
234.161979944-234.16143646677
Out[51]:
0.0005434772299963697
In [68]:
foo = np.load(maxdepth_5_table)
In [69]:
foo
Out[69]:
array([ ('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_OOXWYYGXTJLWHA-UHFFFAOYSA-N.h5', 40.031300128),
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_XZMCDFZZKTWFGF-UHFFFAOYSA-N.h5', 42.021798063999995),
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_QQONPFPTGQHPMA-UHFFFAOYSA-N.h5', 42.046950192),
...,
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_NTXGVHCCXVHYCL-UHFFFAOYSA-N.h5', 926.6318285440028),
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_HMTFXPJOBPIOIN-UHFFFAOYSA-N.h5', 952.7187878080008),
('/project/projectdirs/openmsi/projects/pactolus_trees/FragTreeLibrary_test_hdf5_5_RGHRJBIKIYUHEV-UHFFFAOYSA-N.h5', 952.7187878080008)],
dtype=[('filename', 'S400'), ('ms1_mass', '<f8')])
In [ ]:
Content source: aitatanit/metatlas
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