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CHEBI:69408 - nygerone A

ChEBI IDCHEBI:69408
ChEBI Namenygerone A
Stars
DefinitionA 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.
Last Modified22 August 2016
DownloadsMolfile
FormulaC24H22N2O5
Net Charge0
Average Mass418.449
Monoisotopic Mass418.15287
SMILESC[C@@H](CC(=O)NC(=O)c1cn(-c2ccccc2)c(Cc2ccccc2)cc1=O)C(=O)O
InChIInChI=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
InChIKeyNTTJVIQCCNYXRP-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus niger ATCC 1015 (ncbitaxon:380704) - PubMed (21854017)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:19781449Reaxys
Citations