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CHEBI:204038 - Monasnicotinate D

Default Structure
ChEBI IDCHEBI:204038
ChEBI NameMonasnicotinate D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29NO4
Net Charge0
Average Mass359.466
Monoisotopic Mass359.20966
SMILESCCCCCC(=O)C/C(=C\c1cc(CCC)ncc1C(=O)OC)C(C)=O
InChIInChI=1S/C21H29NO4/c1-5-7-8-10-19(24)13-16(15(3)23)11-17-12-18(9-6-2)22-14-20(17)21(25)26-4/h11-12,14H,5-10,13H2,1-4H3/b16-11+
InChIKeyKVMBIFZQFLOAFI-LFIBNONCSA-N
Species of MetaboliteComponentSourceComments
Monascus (ncbitaxon:5097) - PubMed (21654578)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Monasnicotinate D (CHEBI:204038) is a aromatic carboxylic acid (CHEBI:33859)
Monasnicotinate D (CHEBI:204038) is a pyridines (CHEBI:26421)
IUPAC Name 
methyl 4-[(E)-2-acetyl-4-oxonon-1-enyl]-6-propylpyridine-3-carboxylate
Manual XrefsDatabases
78435628ChemSpider