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

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ChEBI Name 2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester
ChEBI ID CHEBI:121342
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H20N2O4
Net Charge 0
Average Mass 316.352
Monoisotopic Mass 316.14231
InChI InChI=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)
InChIKey PFOFUWYTBQFUGI-UHFFFAOYSA-N
SMILES CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=CNC2=O)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-32785 LINCS
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