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CHEBI:186974 - 24-Nor-5beta-cholane-3alpha,12alpha,23-triol

ChEBI IDCHEBI:186974
ChEBI Name24-Nor-5beta-cholane-3alpha,12alpha,23-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O3
Net Charge0
Average Mass364.570
Monoisotopic Mass364.29775
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCO)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C23H40O3/c1-14(9-11-24)18-6-7-19-17-5-4-15-12-16(25)8-10-22(15,2)20(17)13-21(26)23(18,19)3/h14-21,24-26H,4-13H2,1-3H3/t14-,15-,16-,17+,18-,19+,20+,21+,22+,23-/m1/s1
InChIKeyJWKNPWJGFZVWMB-XQNRYLPDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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-Nor-5beta-cholane-3alpha,12alpha,23-triol (CHEBI:186974) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-hydroxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
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