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CHEBI:58203 - 2-formylbenzoate

ChEBI IDCHEBI:58203
ChEBI Name2-formylbenzoate
Stars
DefinitionA benzoate anion arising from deprotonation of the carboxy group of 2-formylbenzoic acid; major species at pH 7.3.
Last Modified19 June 2014
DownloadsMolfile
FormulaC8H5O3
Net Charge-1
Average Mass149.125
Monoisotopic Mass149.02442
SMILESO=Cc1ccccc1C(=O)[O-]
InChIInChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)/p-1
InChIKeyDYNFCHNNOHNJFG-UHFFFAOYSA-M
Roles Classification
Biological Roles:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-formylbenzoate (CHEBI:58203) has role bacterial xenobiotic metabolite (CHEBI:76976)
2-formylbenzoate (CHEBI:58203) has role mouse metabolite (CHEBI:75771)
2-formylbenzoate (CHEBI:58203) is a aldehydic acid anion (CHEBI:71944)
2-formylbenzoate (CHEBI:58203) is a benzoates (CHEBI:22718)
2-formylbenzoate (CHEBI:58203) is conjugate base of 2-formylbenzoic acid (CHEBI:17605)
Incoming Relation(s)
2-formylbenzoic acid (CHEBI:17605) is conjugate acid of 2-formylbenzoate (CHEBI:58203)
IUPAC Name 
2-formylbenzoate
Synonyms  Source
2-carboxylatobenzaldehydeChEBI
2-formylbenzoate(1−)ChEBI
2-formylbenzoate anionChEBI
UniProt Name  Source
2-formylbenzoateUniProt
Registry NumbersSources
Reaxys:3664008Reaxys