EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:192017 - (3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol

ChEBI IDCHEBI:192017
ChEBI Name(3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILESCC(C)CCCC(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1C(O)C3
InChIInChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-19,21-22,24-25,28-29H,6-16H2,1-5H3
InChIKeyMPCLLXXLNXORCU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
(3beta,5alpha,6alpha)-Cholest-8-ene-3,6-diol (CHEBI:192017) is a cholestanoid (CHEBI:50401)
IUPAC Name 
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
Manual XrefsDatabases
HMDB0029320HMDB
11568064ChemSpider