CHEBI:17605 - 2-formylbenzoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-formylbenzoic acid
ChEBI ID CHEBI:17605
Definition An aldehydic acid which consists of benzoic acid substituted by a formyl group at position 2. Metabolite of ampicillin phthalidyl ester.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11538, CHEBI:1037, CHEBI:19497
Supplier Information
Download Molfile XML SDF
Formula C8H6O3
Net Charge 0
Average Mass 150.13144
Monoisotopic Mass 150.032
InChI InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)
InChIKey DYNFCHNNOHNJFG-UHFFFAOYSA-N
SMILES [H]C(=O)c1ccccc1C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): drug metabolite

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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 2-formylbenzoate (CHEBI:58203) is conjugate base of 2-formylbenzoic acid (CHEBI:17605)
IUPAC Name
2-formylbenzoic acid
Synonyms Sources
2-Carboxybenzaldehyde KEGG COMPOUND
2-formylbenzoic acid UniProt
2-Formylbenzoic acid KEGG COMPOUND
o-formylbenzoic acid ChEBI
o-Formylbenzoic acid KEGG COMPOUND
Phthalaldehydic acid KEGG COMPOUND
Database Links Databases
C03057 KEGG COMPOUND
c0448 UM-BBD
View more database links
Registry Numbers Types Sources
119-67-5 CAS Registry Number KEGG COMPOUND
119-67-5 CAS Registry Number ChemIDplus
742381 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
12123834 PubMed citation Europe PMC
12604212 PubMed citation Europe PMC
24862007 PubMed citation Europe PMC
28166217 PubMed citation Europe PMC
Last Modified
08 June 2017