CHEBI:69408 - nygerone A

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ChEBI Name nygerone A
ChEBI ID CHEBI:69408
Definition A member of the class of 4-pyridones that is nigerone B in which the nitrogen of the carboxamide has been acylated by a (3S)-3-carboxybutanoyl group. It has been isolated from Aspergillus niger ATCC 1015.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H22N2O5
Net Charge 0
Average Mass 418.443
Monoisotopic Mass 418.15287
InChI InChI=1S/C24H22N2O5/c1-16(24(30)31)12-22(28)25-23(29)20-15-26(18-10-6-3-7-11-18)19(14-21(20)27)13-17-8-4-2-5-9-17/h2-11,14-16H,12-13H2,1H3,(H,30,31)(H,25,28,29)/t16-/m0/s1
InChIKey NTTJVIQCCNYXRP-INIZCTEOSA-N
SMILES C=1C=C(C=CC1)CC2=CC(C(C(=O)NC(C[C@@H](C(O)=O)C)=O)=CN2C3=CC=CC=C3)=O
Metabolite of Species Details
Aspergillus niger ATCC 1015 (NCBI:txid380704) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing nygerone A (CHEBI:69408) has functional parent nygerone B (CHEBI:69409)
nygerone A (CHEBI:69408) has role Aspergillus metabolite (CHEBI:76956)
nygerone A (CHEBI:69408) is a 4-pyridones (CHEBI:20485)
nygerone A (CHEBI:69408) is a biaryl (CHEBI:64459)
nygerone A (CHEBI:69408) is a dicarboximide (CHEBI:35356)
nygerone A (CHEBI:69408) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
(2S)-4-{[(6-benzyl-4-oxo-1-phenyl-1,4-dihydropyridin-3-yl)carbonyl]amino}-2-methyl-4-oxobutanoic acid
Registry Number Type Source
19781449 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19156306 PubMed citation Europe PMC
21375710 PubMed citation Europe PMC
21854017 PubMed citation Europe PMC
Last Modified
22 August 2016