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CHEBI:70016 - (22E,24R)-ergosta-7,22-diene-3,6-dione

ChEBI IDCHEBI:70016
ChEBI Name(22E,24R)-ergosta-7,22-diene-3,6-dione
Stars
ASCII Name(22E,24R)-ergosta-7,22-diene-3,6-dione
DefinitionA 3-oxo Δ7-steroid that is (22E)-ergosta-7,22-diene substituted by oxo groups at positions 3 and 6. It has been isolated from Penicillium commune.
Last Modified13 January 2014
DownloadsMolfile
FormulaC28H42O2
Net Charge0
Average Mass410.642
Monoisotopic Mass410.31848
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC(=O)[C@@]2([H])CC(=O)CC[C@]12C
InChIInChI=1S/C28H42O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-19,22-25H,9-15H2,1-6H3/b8-7+/t18-,19+,22+,23-,24-,25+,27+,28+/m0/s1
InChIKeyAGFWEYQAOQMEEO-KRGQBHGKSA-N
Species of MetaboliteComponentSourceComments
Penicillium commune (ncbitaxon:36653) mycelium (BTO:0001436) PubMed (21226488) Methanolic extract of mycelia and ethyl acetate extract of culture broth Strain: QSD 17
Roles Classification
Biological Role:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
ChEBI Ontology
Outgoing Relation(s)
(22E,24R)-ergosta-7,22-diene-3,6-dione (CHEBI:70016) has role Penicillium metabolite (CHEBI:76964)
(22E,24R)-ergosta-7,22-diene-3,6-dione (CHEBI:70016) is a 3-oxo Δ7-steroid (CHEBI:71598)
(22E,24R)-ergosta-7,22-diene-3,6-dione (CHEBI:70016) is a 6-oxo steroid (CHEBI:36883)
(22E,24R)-ergosta-7,22-diene-3,6-dione (CHEBI:70016) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(22E)-ergosta-7,22-diene-3,6-dione
Synonym  Source
cyathisteroneChEBI
Registry NumbersSources
Reaxys:7049139Reaxys
Citations