EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:70334 - 3β-hydroxyergosta-8,24(28)-dien-7-one

ChEBI IDCHEBI:70334
ChEBI Name3β-hydroxyergosta-8,24(28)-dien-7-one
Stars
ASCII Name3beta-hydroxyergosta-8,24(28)-dien-7-one
DefinitionAn ergostanoid that is (5α)-ergosta-8,24(28)-diene substituted by a β-hydroxy group at position 3 and an oxo group at position 7. It has been isolated from Aspergillus ochraceus.
Last Modified13 January 2014
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILES[H][C@@]12CC(=O)C3=C(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC(=C)C(C)C)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C28H44O2/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/h17,19-23,29H,3,7-16H2,1-2,4-6H3/t19-,20-,21+,22-,23+,27+,28-/m1/s1
InChIKeyXNNFSCUGVQFHNA-KLARHEOWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ochraceus (ncbitaxon:40380) mycelium (BTO:0001436) PubMed (21043476) MeOH(mycelia) & EtOAc(broth) extract of an endophytic fungus isolated from Sargassum kjellmanianum Strain: EN 31
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) has parent hydride 5α-ergostane (CHEBI:20652)
3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) has role Aspergillus metabolite (CHEBI:76956)
3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) is a 3β-hydroxy steroid (CHEBI:36836)
3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) is a 7-oxo steroid (CHEBI:47789)
3β-hydroxyergosta-8,24(28)-dien-7-one (CHEBI:70334) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(3β,5α)-3-hydroxyergosta-8,24(28)-dien-7-one
Registry NumbersSources
Reaxys:21092008Reaxys
Citations