EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169529 - (3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one

ChEBI IDCHEBI:169529
ChEBI Name(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O2
Net Charge0
Average Mass410.642
Monoisotopic Mass410.31848
SMILESCC(C)C(C)/C=C/C(C)C1CCC2C3=C(CCC21C)C1(C)CCC(O)CC1=CC3=O
InChIInChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h7-8,16-19,21-23,29H,9-15H2,1-6H3/b8-7+
InChIKeyUOHNARRKDSHFLD-BQYQJAHWSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one (CHEBI:169529) is a ergostanoid (CHEBI:50403)
IUPAC Name 
17-[(E)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Manual XrefsDatabases
HMDB0032106HMDB