MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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The Swiss Initiative in Systems Biology
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Cholesterol-ester-ala
Properties
Image
Occurences in reactions
MNX_ID
MNXM164674
#reac
in my sandbox
0
in MNXref (generic)
2
in models (compartimentalized)
2
formula
C
45
H
74
O
2
charge
0
mass
646.56888
reference
biggM:HC02025
InChIKey
FYMCIBHUFSIWCE-JFEYJFDZSA-N
InChI
InChI=1S/C45H74O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38?,39+,40-,41+,42+,44+,45-/m1/s1
SMILES
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
bigg.metabolite:HC02025
biggM:HC02025
Cholesterol-ester-ala
biggM:M_HC02025
secondary/obsolete/fantasy identifier