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CHEBI:187012 - 24-Nor-5beta-cholane-3alpha,12alpha,22,23-tetrol

ChEBI IDCHEBI:187012
ChEBI Name24-Nor-5beta-cholane-3alpha,12alpha,22,23-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O4
Net Charge0
Average Mass380.569
Monoisotopic Mass380.29266
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)C(O)CO)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C23H40O4/c1-13(20(26)12-24)17-6-7-18-16-5-4-14-10-15(25)8-9-22(14,2)19(16)11-21(27)23(17,18)3/h13-21,24-27H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,20?,21-,22-,23+/m0/s1
InChIKeyMEGHYHKXGSKUIU-FFRQVMGHSA-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,22,23-tetrol (CHEBI:187012) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R,5R,8R,9S,10S,12S,13S,14S,17R)-17-[(2S)-3,4-dihydroxybutan-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
Manual XrefsDatabases
4447390ChemSpider
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