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CHEBI:17605 - 2-formylbenzoic acid

ChEBI IDCHEBI:17605
ChEBI Name2-formylbenzoic acid
Stars
DefinitionAn aldehydic acid which consists of benzoic acid substituted by a formyl group at position 2. Metabolite of ampicillin phthalidyl ester.
Secondary ChEBI IDsCHEBI:1037, CHEBI:11538, CHEBI:19497
Last Modified9 December 2024
DownloadsMolfile
FormulaC8H6O3
Net Charge0
Average Mass150.133
Monoisotopic Mass150.03169
SMILES[H]C(=O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)
InChIKeyDYNFCHNNOHNJFG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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-formylbenzoic acid (CHEBI:17605) has role bacterial xenobiotic metabolite (CHEBI:76976)
2-formylbenzoic acid (CHEBI:17605) has role drug metabolite (CHEBI:49103)
2-formylbenzoic acid (CHEBI:17605) has role mouse metabolite (CHEBI:75771)
2-formylbenzoic acid (CHEBI:17605) is a aldehydic acid (CHEBI:26643)
2-formylbenzoic acid (CHEBI:17605) is a benzaldehydes (CHEBI:22698)
2-formylbenzoic acid (CHEBI:17605) is conjugate acid of 2-formylbenzoate (CHEBI:58203)
Incoming Relation(s)
2-formylbenzoate (CHEBI:58203) is conjugate base of 2-formylbenzoic acid (CHEBI:17605)
IUPAC Name 
2-formylbenzoic acid
Synonyms  Source
2-CarboxybenzaldehydeKEGG COMPOUND
Phthalaldehydic acidKEGG COMPOUND
o-Formylbenzoic acidKEGG COMPOUND
o-formylbenzoic acidChEBI
2-Formylbenzoic acidKEGG COMPOUND
Manual XrefsDatabases
C03057KEGG COMPOUND
c0448UM-BBD
Registry NumbersSources
Reaxys:742381Reaxys
CAS:119-67-5KEGG COMPOUND
CAS:119-67-5ChemIDplus
Citations