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CHEBI:187219 - 24-Nor-5beta-cholane-3alpha,7alpha,23-triol

ChEBI IDCHEBI:187219
ChEBI Name24-Nor-5beta-cholane-3alpha,7alpha,23-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O3
Net Charge0
Average Mass364.570
Monoisotopic Mass364.29775
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C23H40O3/c1-14(8-11-24)17-4-5-18-21-19(7-10-23(17,18)3)22(2)9-6-16(25)12-15(22)13-20(21)26/h14-21,24-26H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-/m1/s1
InChIKeyAQLBTYPFUGRFQI-VEPRGJRUSA-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,7alpha,23-triol (CHEBI:187219) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,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-3,7-diol
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