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CHEBI:187433 - 5alpha-cholestan-3alpha,12alpha,16alpha-triol

ChEBI IDCHEBI:187433
ChEBI Name5alpha-cholestan-3alpha,12alpha,16alpha-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H48O3
Net Charge0
Average Mass420.678
Monoisotopic Mass420.36035
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(C[C@H](O)[C@]4(C)[C@@]([H])([C@H](C)CCCC(C)C)[C@H](O)C[C@@]34[H])[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)25-23(29)14-22-20-10-9-18-13-19(28)11-12-26(18,4)21(20)15-24(30)27(22,25)5/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyUYOSSIFSBNNKRC-XJZYBRFWSA-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-cholestan-3alpha,12alpha,16alpha-triol (CHEBI:187433) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3R,5S,8R,9S,10S,12S,13S,14S,16R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12,16-triol
Manual XrefsDatabases
LMST01010335LIPID MAPS
24627321ChemSpider