EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:133846 - aspernigrin A

ChEBI IDCHEBI:133846
ChEBI Nameaspernigrin A
Stars
DefinitionA member of the class of 4-pyridones that is 4-pyridone in which the hydrogens at positions 3 and 6 have been replaced by aminocarbonyl and benzyl groups, respectively. It has been isolated from the Cynodon dactylon-associated endophytic fungus Cladosporium herbarum IFB-E002 and from a sponge-derived Aspergillus niger.
Last Modified2 March 2017
SubmitterJubra
DownloadsMolfile
FormulaC13H12N2O2
Net Charge0
Average Mass228.251
Monoisotopic Mass228.08988
SMILESNC(=O)c1cnc(Cc2ccccc2)cc1=O
InChIInChI=1S/C13H12N2O2/c14-13(17)11-8-15-10(7-12(11)16)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,17)(H,15,16)
InChIKeyRUUZDCZRFRLJFC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cladosporium herbarum (ncbitaxon:29918) - PubMed (16038560) Strain: IFB-E002
Aspergillus niger (ncbitaxon:5061)
- PubMed (15387655)
- DOI (10.1021/np058103o)
Aspergillus awamori (ncbitaxon:105351) - PubMed (26669099) Aspergillus awamori was isolated from a diseased banana fruit, Musa acuminata cv. Ambul.
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
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)
aspernigrin A (CHEBI:133846) has role Aspergillus metabolite (CHEBI:76956)
aspernigrin A (CHEBI:133846) is a 4-pyridones (CHEBI:20485)
aspernigrin A (CHEBI:133846) is a alkaloid (CHEBI:22315)
aspernigrin A (CHEBI:133846) is a monocarboxylic acid amide (CHEBI:29347)
Incoming Relation(s)
pestalamide B (CHEBI:69407) has functional parent aspernigrin A (CHEBI:133846)
IUPAC Name 
6-benzyl-4-oxo-1,4-dihydropyridine-3-carboxamide
Manual XrefsDatabases
C00042247KNApSAcK
Registry NumbersSources
CAS:773855-60-0KNApSAcK
Citations