EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180632 - (3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol

ChEBI IDCHEBI:180632
ChEBI Name(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H52O3
Net Charge0
Average Mass448.732
Monoisotopic Mass448.39165
SMILESCCC(CCC(C)C1CCC2C3CC(O)C4(O)CC(O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=1S/C29H52O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30-32H,7-17H2,1-6H3
InChIKeyVGSSUFQMXBFFTM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol (CHEBI:180632) has parent hydride stigmastane (CHEBI:26773)
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol (CHEBI:180632) is a steroid (CHEBI:35341)
IUPAC Name 
17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol
Manual XrefsDatabases
HMDB0030014HMDB
550984ChemSpider
LMST01040240LIPID MAPS