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CHEBI:181791 - 24-Hydroxychola-4-ene-3-one

ChEBI IDCHEBI:181791
ChEBI Name24-Hydroxychola-4-ene-3-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H38O2
Net Charge0
Average Mass358.566
Monoisotopic Mass358.28718
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCO
InChIInChI=1S/C24H38O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h15-16,19-22,25H,4-14H2,1-3H3/t16-,19+,20-,21+,22+,23+,24-/m1/s1
InChIKeyQJKBUSGUNXZSRG-SVYVOUITSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
24-Hydroxychola-4-ene-3-one (CHEBI:181791) is a bile acid (CHEBI:3098)
IUPAC Name 
(8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
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8284594ChemSpider