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

ChEBI IDCHEBI:193348
ChEBI Name5beta-Chola-3,11-dien-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O2
Net Charge0
Average Mass356.550
Monoisotopic Mass356.27153
SMILES[H][C@]12C=C[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])CC[C@]1([H])C=CCC[C@]21C
InChIInChI=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
InChIKeyJAPZTFSJMJNCBN-LVVAJZGHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
4447220ChemSpider
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