2-formylbenzoic acid (CHEBI:17605)

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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

Average Mass

150.13144

Monoisotopic Mass

150.03169

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).

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

Last Modified

08 June 2017