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CHEBI:187107 - 5beta-Cholane-3alpha,24-diol

ChEBI IDCHEBI:187107
ChEBI Name5beta-Cholane-3alpha,24-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O2
Net Charge0
Average Mass362.598
Monoisotopic Mass362.31848
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCO)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C24H42O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h16-22,25-26H,4-15H2,1-3H3/t16-,17-,18-,19+,20-,21+,22+,23+,24-/m1/s1
InChIKeyACKIMFUPMAASSZ-LYWYBQTLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5beta-Cholane-3alpha,24-diol (CHEBI:187107) is a cholanoid (CHEBI:36078)
IUPAC Name 
(3R,5R,8R,9S,10S,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]phenanthren-3-ol
Manual XrefsDatabases
4447151ChemSpider
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