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CHEBI:176415 - 3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid

ChEBI IDCHEBI:176415
ChEBI Name3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O3
Net Charge0
Average Mass372.549
Monoisotopic Mass372.26645
SMILES[H][C@]12CC=C3C(=CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C24H36O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h6,11,15-17,19-20,25H,4-5,7-10,12-14H2,1-3H3,(H,26,27)/t15-,16-,17-,19-,20+,23+,24-/m1/s1
InChIKeyBCMBRGZVZCQHFO-GCIZHPIPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3alpha-Hydroxy-5beta-chola-7,9(11)-dien-24-oic Acid (CHEBI:176415) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(3R,5R,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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