EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:68074 - chrysogedone A

ChEBI IDCHEBI:68074
ChEBI Namechrysogedone A
Stars
DefinitionA pyridone that is pyridin-2(1H)-one substituted by a methyl group at position 6 and a 1-hydroxybutyl group at position 5. It has been isolated from Penicillium chrysogenum.
Last Modified6 November 2013
DownloadsMolfile
FormulaC10H15NO2
Net Charge0
Average Mass181.235
Monoisotopic Mass181.11028
SMILESCCC[C@H](O)c1ccc(=O)nc1C
InChIInChI=1S/C10H15NO2/c1-3-4-9(12)8-5-6-10(13)11-7(8)2/h5-6,9,12H,3-4H2,1-2H3,(H,11,13)/t9-/m0/s1
InChIKeyKXOMTJKMEGIGSP-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) mycelium (BTO:0001436) PubMed (21381678) Fungus isolated from the root surface of Rhizophora stylosa, EtOAc extract of fermentation broth Strain: PXP 55
Roles Classification
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
chrysogedone A (CHEBI:68074) has role Penicillium metabolite (CHEBI:76964)
chrysogedone A (CHEBI:68074) has role metabolite (CHEBI:25212)
chrysogedone A (CHEBI:68074) is a pyridone (CHEBI:38183)
chrysogedone A (CHEBI:68074) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
5-[(1S)-1-hydroxybutyl]-6-methylpyridin-2(1H)-one
Registry NumbersSources
Reaxys:21559822Reaxys
Citations