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CHEBI:172975 - 24-oxocholest-25-en-3beta-ol

ChEBI IDCHEBI:172975
ChEBI Name24-oxocholest-25-en-3beta-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44O2
Net Charge0
Average Mass400.647
Monoisotopic Mass400.33413
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=O)C(=C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H44O2/c1-17(2)25(29)11-6-18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h18-24,28H,1,6-16H2,2-5H3/t18-,19+,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyKVBKKQCGSSNDFU-ATCMKXLTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) brain (BTO:0000142) MetaboLights (MTBLS2457) Strain: C57BL/6J [EFO:0000606]
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-oxocholest-25-en-3beta-ol (CHEBI:172975) is a bile acid (CHEBI:3098)
IUPAC Name 
(6R)-6-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylhept-1-en-3-one
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