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CHEBI:28613 - Formyl-N-acetyl-5-methoxykynurenamine

ChEBI IDCHEBI:28613
ChEBI NameFormyl-N-acetyl-5-methoxykynurenamine
Stars
Secondary ChEBI IDsCHEBI:5152, CHEBI:24093
Last Modified30 June 2022
DownloadsMolfile
FormulaC13H16N2O4
Net Charge0
Average Mass264.281
Monoisotopic Mass264.11101
SMILES[H]C(=O)Nc1ccc(OC)cc1C(=O)CCNC(C)=O
InChIInChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyJYWNYMJKURVPFH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood (UBERON:0000178) PubMed (12865098)
cerebrospinal fluid (UBERON:0001359) PubMed (16150112)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
ChEBI Ontology
Outgoing Relation(s)
Formyl-N-acetyl-5-methoxykynurenamine (CHEBI:28613) has role rat metabolite (CHEBI:86264)
Formyl-N-acetyl-5-methoxykynurenamine (CHEBI:28613) is a N-formylderivative (CHEBI:7282)
Formyl-N-acetyl-5-methoxykynurenamine (CHEBI:28613) is a acetamides (CHEBI:22160)
Formyl-N-acetyl-5-methoxykynurenamine (CHEBI:28613) is a kynurenamines (CHEBI:24990)
Formyl-N-acetyl-5-methoxykynurenamine (CHEBI:28613) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide
Synonyms  Source
Formyl-N-acetyl-5-methoxykynurenamineKEGG COMPOUND
formyl-N-acetyl-5-methoxykynurenamineChEBI
N-acetyl-N-formyl-5-methoxykynurenamineChemIDplus
AFMKChemIDplus
Formyl-N-acetyl-5-methoxykynurenamineHMDB
N-[3-(2-Formamido-5-methoxy-phenyl)-3-oxo-propyl]acetamideHMDB
Manual XrefsDatabases
C05642KEGG COMPOUND
HMDB0004259HMDB
Registry NumbersSources
CAS:52450-38-1ChemIDplus
Citations