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CHEBI:188238 - 5beta-Chola-8(14),11-dien-24-oic Acid

ChEBI IDCHEBI:188238
ChEBI Name5beta-Chola-8(14),11-dien-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O2
Net Charge0
Average Mass356.550
Monoisotopic Mass356.27153
SMILES[H][C@@]12CCCC[C@]1(C)[C@@]1([H])C=C[C@@]3(C)C(=C1CC2)CC[C@]3([H])[C@H](C)CCC(=O)O
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/h13,15-17,19,21H,4-12,14H2,1-3H3,(H,25,26)/t16-,17+,19-,21+,23+,24-/m1/s1
InChIKeyIFYQGXDHHNLPLR-LVARZUFQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
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-8(14),11-dien-24-oic Acid (CHEBI:188238) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(5S,9R,10S,13R,17R)-10,13-dimethyl-2,3,4,5,6,7,9,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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