aspernigrin A (CHEBI:133846)

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ChEBI Name	aspernigrin A

ChEBI ID	CHEBI:133846

Definition	A member of the class of 4-pyridones that is 4-pyridone in which the hydrogens at positions 3 and 6 have been replaced by aminocarbonyl and benzyl groups, respectively.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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Julian Brandl

Supplier Information

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Formula

C13H12N2O2

Net Charge

Average Mass

228.247

Monoisotopic Mass

228.08988

InChI

InChI=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)

InChIKey

RUUZDCZRFRLJFC-UHFFFAOYSA-N

SMILES

C(C=1NC=C(C(C1)=O)C(N)=O)C=2C=CC=CC2

Metabolite of Species	Details
Aspergillus awamori (NCBI:txid105351)	Aspergillus awamori was isolated from a diseased banana fruit, Musa acuminata cv. Ambul. See: PubMed
Cladosporium herbarum (NCBI:txid29918)	of strain IFB-E002 See: PubMed
Aspergillus niger (NCBI:txid5061)	See: PubMed
Aspergillus niger (NCBI:txid5061)	See: DOI

Roles Classification
Biological Role(s):	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. (via alkaloid )

ChEBI Ontology
Outgoing	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	pestalamide B (CHEBI:69407) has functional parent aspernigrin A (CHEBI:133846)

IUPAC Name

6-benzyl-4-oxo-1,4-dihydropyridine-3-carboxamide

Registry Number	Type	Source
773855-60-0	CAS Registry Number	KNApSAcK

Last Modified

02 March 2017