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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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cholanic acid
Properties
Image
Occurences in reactions
MNX_ID
MNXM46538
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
24
H
40
O
2
charge
0
mass
360.30283
reference
chebi:36237
InChIKey
RPKLZQLYODPWTM-KBMWBBLPSA-N
InChI
InChI=1S/C24H40O2/c1-16(7-12-22(25)26)19-10-11-20-18-9-8-17-6-4-5-14-23(17,2)21(18)13-15-24(19,20)3/h16-21H,4-15H2,1-3H3,(H,25,26)/t16-,17?,18+,19-,20+,21+,23+,24-/m1/s1
SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@@]21C
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:36237
chebi:36237
cholanic acid
cholan-24-oic acid
metacyc.compound:CPD-23240
metacycM:CPD-23240
cholanate
cholan-24-oate
cholan-24-oic acid
cholanic acid