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CHEBI:188017 - 5beta-Cholane-3alpha,6alpha,24-triol

ChEBI IDCHEBI:188017
ChEBI Name5beta-Cholane-3alpha,6alpha,24-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O3
Net Charge0
Average Mass378.597
Monoisotopic Mass378.31340
SMILES[H][C@@]12C[C@H](O)[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCO
InChIInChI=1S/C24H42O3/c1-15(5-4-12-25)18-6-7-19-17-14-22(27)21-13-16(26)8-10-24(21,3)20(17)9-11-23(18,19)2/h15-22,25-27H,4-14H2,1-3H3/t15-,16-,17+,18-,19+,20+,21+,22+,23-,24-/m1/s1
InChIKeyQURUUUBBQMXRPI-KUEYJUPNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5beta-Cholane-3alpha,6alpha,24-triol (CHEBI:188017) is a bile acid (CHEBI:3098)
IUPAC Name 
(3R,5R,6S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
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