EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:212816 - 24-hydroxylergosta-4,6,8(14),22-tetraen-3-one

ChEBI IDCHEBI:212816
ChEBI Name24-hydroxylergosta-4,6,8(14),22-tetraen-3-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O2
Net Charge0
Average Mass408.626
Monoisotopic Mass408.30283
SMILESCC(C)C(C)(O)C=C[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChIInChI=1S/C28H40O2/c1-18(2)28(6,30)16-11-19(3)23-9-10-24-22-8-7-20-17-21(29)12-14-26(20,4)25(22)13-15-27(23,24)5/h7-8,11,16-19,23,25,30H,9-10,12-15H2,1-6H3/t19-,23-,25+,26+,27-,28?/m1/s1
InChIKeyVCRVBLLMTMHOEY-BZABDROBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (28825634)
ChEBI Ontology
Outgoing Relation(s)
24-hydroxylergosta-4,6,8(14),22-tetraen-3-one (CHEBI:212816) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(9R,10R,13R,17R)-17-[(2R)-5-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
78439238ChemSpider