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CHEBI:187336 - 5alpha-Cholestane-3alpha,7alpha,25-triol

ChEBI IDCHEBI:187336
ChEBI Name5alpha-Cholestane-3alpha,7alpha,25-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O3
Net Charge0
Average Mass420.678
Monoisotopic Mass420.36035
SMILES[H][C@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(C)(C)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h17-24,28-30H,6-16H2,1-5H3/t17-,18-,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1
InChIKeyUROPIWALBBMYRP-CEIFOQQWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5alpha-Cholestane-3alpha,7alpha,25-triol (CHEBI:187336) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-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-diol
Manual XrefsDatabases
LMST04030090LIPID MAPS
168438ChemSpider
Registry NumbersSources
CAS:61088-54-8ChemIDplus