CHEBI:193348 - 5beta-Chola-3,11-dien-24-oic Acid

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ChEBI Name 5beta-Chola-3,11-dien-24-oic Acid
ChEBI ID CHEBI:193348
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H36O2
Net Charge 0
Average Mass 356.550
Monoisotopic Mass 356.27153
InChI InChI=1S/C24H36O2/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/h4,6,13,15-21H,5,7-12,14H2,1-3H3,(H,25,26)/t16-,17+,18+,19-,20+,21+,23+,24-/m1/s1
InChIKey JAPZTFSJMJNCBN-LVVAJZGHSA-N
SMILES OC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C=CCC4)[H])C)(C=C2)[H])[H])(CC1)[H])C)[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5beta-Chola-3,11-dien-24-oic Acid (CHEBI:193348) is a bile acid (CHEBI:3098)
IUPAC Name
(4R)-4-[(5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-2,5,6,7,8,9,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Manual Xrefs Databases
4447220 ChemSpider
LMST04010388 LIPID MAPS
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