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CHEBI:187974 - 5beta-Cholane-3alpha,7alpha,12alpha-triol

ChEBI IDCHEBI:187974
ChEBI Name5beta-Cholane-3alpha,7alpha,12alpha-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O3
Net Charge0
Average Mass378.597
Monoisotopic Mass378.31340
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)CCC)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C24H42O3/c1-5-6-14(2)17-7-8-18-22-19(13-21(27)24(17,18)4)23(3)10-9-16(25)11-15(23)12-20(22)26/h14-22,25-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
InChIKeyPFZUIDNKXWIWBG-YHEMGIGTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
5beta-Cholane-3alpha,7alpha,12alpha-triol (CHEBI:187974) is a 7-hydroxy steroid (CHEBI:36844)
IUPAC Name 
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
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571309ChemSpider
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