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CHEBI:121342 - 2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester

Default Structure
ChEBI IDCHEBI:121342
ChEBI Name2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester
Stars
DownloadsMolfile
FormulaC17H20N2O4
Net Charge0
Average Mass316.357
Monoisotopic Mass316.14231
SMILESCCCn1c(C)cc(C(=O)COC(=O)c2cccnc2=O)c1C
InChIInChI=1S/C17H20N2O4/c1-4-8-19-11(2)9-14(12(19)3)15(20)10-23-17(22)13-6-5-7-18-16(13)21/h5-7,9H,4,8,10H2,1-3H3,(H,18,21)
InChIKeyPFOFUWYTBQFUGI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester (CHEBI:121342) is a aromatic carboxylic acid (CHEBI:33859)
2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester (CHEBI:121342) is a pyridines (CHEBI:26421)
Manual XrefsDatabases
LSM-32785LINCS