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CHEBI:191265 - 24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol

ChEBI IDCHEBI:191265
ChEBI Name24-Nor-5beta-cholane-3alpha,7alpha,12alpha,22,23-pentol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O5
Net Charge0
Average Mass396.568
Monoisotopic Mass396.28757
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)C(O)CO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C23H40O5/c1-12(19(27)11-24)15-4-5-16-21-17(10-20(28)23(15,16)3)22(2)7-6-14(25)8-13(22)9-18(21)26/h12-21,24-28H,4-11H2,1-3H3/t12-,13-,14+,15+,16-,17-,18+,19?,20-,21-,22-,23+/m0/s1
InChIKeyUHRXWDYIMNNWLV-YORLSYTHSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) hTERT-RPE1 cell (BTO:0004790) MetaboLights (MTBLS682)
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,12alpha,22,23-pentol (CHEBI:191265) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,12S,13R,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-3,7,12-triol
Manual XrefsDatabases
4447386ChemSpider
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