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

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ChEBI Name (22E,24R)-ergosta-7,22-diene-3,6-dione
ChEBI ID CHEBI:70016
ChEBI ASCII Name (22E,24R)-ergosta-7,22-diene-3,6-dione
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H42O2
Net Charge 0
Average Mass 410.63190
Monoisotopic Mass 410.31848
InChI InChI=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
InChIKey AGFWEYQAOQMEEO-KRGQBHGKSA-N
SMILES CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species Details
Penicillium commune (NCBI:txid36653) Found in mycelium (BTO:0001436). Methanolic extract of mycelia and ethyl acetate extract of culture broth of strain QSD 17 See: PubMed
Roles Classification
Biological Role(s): Penicillium metabolite
Any fungal metabolite produced during a metabolic reaction in Penicillium.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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
cyathisterone ChEBI
Registry Number Type Source
7049139 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21226488 PubMed citation Europe PMC
Last Modified
13 January 2014