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CHEBI:70402 - 1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione

ChEBI IDCHEBI:70402
ChEBI Name1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione
Stars
ASCII Name1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione
DefinitionA member of the class of pyrroles that is 2,3-dihydro-1H-pyrrole substituted by a 2-methyl-3-oxodecanoyl group at the nitrogen atom. Isolated from Penicillium citrinum and Penicillium brevicompactum, it exhibits antifungal activity.
Last Modified5 March 2014
DownloadsMolfile
FormulaC15H25NO2
Net Charge0
Average Mass251.370
Monoisotopic Mass251.18853
SMILESCCCCCCCC(=O)C(C)C(=O)N1C=CCC1
InChIInChI=1S/C15H25NO2/c1-3-4-5-6-7-10-14(17)13(2)15(18)16-11-8-9-12-16/h8,11,13H,3-7,9-10,12H2,1-2H3
InChIKeyHMWIYUSLKIYYER-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium brevicompactum (ncbitaxon:5074) - PubMed (21053938)
Penicillium citrinum (ncbitaxon:5077) - PubMed (21053938) Penicillium species isolated from a seaweed caulerpa sp. Strain: F53
Roles Classification
Biological Roles:
Penicillium metabolite  Any fungal metabolite produced during a metabolic reaction in Penicillium.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione (CHEBI:70402) has role Penicillium metabolite (CHEBI:76964)
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione (CHEBI:70402) has role antifungal agent (CHEBI:35718)
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione (CHEBI:70402) is a ketone (CHEBI:17087)
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione (CHEBI:70402) is a monocarboxylic acid amide (CHEBI:29347)
1-(2,3-dihydro-1H-pyrrol-1-yl)-2-methyldecane-1,3-dione (CHEBI:70402) is a pyrroles (CHEBI:26455)
Registry NumbersSources
Reaxys:8211286Reaxys
Citations