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CHEBI:183011 - 3-Hydroxy-5-chola-8,14-dien-24-oic Acid

ChEBI IDCHEBI:183011
ChEBI Name3-Hydroxy-5-chola-8,14-dien-24-oic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H36O3
Net Charge0
Average Mass372.549
Monoisotopic Mass372.26645
SMILES[H][C@]12CCC3=C(CC[C@@]4(C)C3=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/h8,15-17,19,25H,4-7,9-14H2,1-3H3,(H,26,27)/t15-,16-,17-,19-,23+,24-/m1/s1
InChIKeyDENXOSXUENHZPF-DZNCAFJUSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxy-5-chola-8,14-dien-24-oic Acid (CHEBI:183011) is a bile acid (CHEBI:3098)
IUPAC Name 
(4R)-4-[(3R,5R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
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