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CHEBI:168526 - 24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol

ChEBI IDCHEBI:168526
ChEBI Name24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40O4
Net Charge0
Average Mass380.569
Monoisotopic Mass380.29266
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)CCO)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C23H40O4/c1-13(7-9-24)16-4-5-17-21-18(12-20(27)23(16,17)3)22(2)8-6-15(25)10-14(22)11-19(21)26/h13-21,24-27H,4-12H2,1-3H3/t13-,14+,15-,16-,17+,18+,19-,20+,21+,22+,23-/m1/s1
InChIKeySLNNQUHVOGVMBG-ZTSBSJDLSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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,23-tetrol (CHEBI:168526) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R,5S,7R,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-3,7,12-triol
Manual XrefsDatabases
4447387ChemSpider
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