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CHEBI:44279 - 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID

Default Structure
ChEBI IDCHEBI:44279
ChEBI Name4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC17H14N2O6
Net Charge0
Average Mass342.307
Monoisotopic Mass342.08519
SMILES[H]OC(=O)c1c([H])c([H])c(-c2c([H])nc([H])c(C(=O)N([H])[C@]([H])(C([H])=O)C([H])([H])C(=O)O[H])c2[H])c([H])c1[H]
InChIInChI=1S/C17H14N2O6/c20-9-14(6-15(21)22)19-16(23)13-5-12(7-18-8-13)10-1-3-11(4-2-10)17(24)25/h1-5,7-9,14H,6H2,(H,19,23)(H,21,22)(H,24,25)/t14-/m0/s1
InChIKeyJNRAPROKLOUIRA-AWEZNQCLSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID (CHEBI:44279) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-(5-{[(1S)-2-carboxy-1-formylethyl]carbamoyl}pyridin-3-yl)benzoic acidPDBeChem
4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACIDPDBeChem
Manual XrefsDatabases
NA4PDBeChem