EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177122 - 3-Hydroxystigmast-5-en-7-one

Default Structure
ChEBI IDCHEBI:177122
ChEBI Name3-Hydroxystigmast-5-en-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILES[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CC[C@@H](CC)C(C)C)[C@]1([H])C(=O)C=C1C[C@@H](O)CC[C@@]12C
InChIInChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1
InChIKeyICFXJOAKQGDRCT-ZIHMWMKCSA-N
Species of MetaboliteComponentSourceComments
Bos grunniens (ncbitaxon:30521) subcutaneous adipose tissue (BTO:0004042) Article
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxystigmast-5-en-7-one (CHEBI:177122) has parent hydride stigmastane (CHEBI:26773)
3-Hydroxystigmast-5-en-7-one (CHEBI:177122) is a steroid (CHEBI:35341)
IUPAC Name 
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
Manual XrefsDatabases
141131ChemSpider
LMST01040169LIPID MAPS
Registry NumbersSources
CAS:2034-74-4ChemIDplus