3-methoxybenzoic acid (CHEBI:88458)

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ChEBI Name	3-methoxybenzoic acid

ChEBI ID	CHEBI:88458

Definition	A methoxybenzoic acid that is benzoic acid substituted by a methoxy group at position 3.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C8H8O3

Net Charge

Average Mass

152.149

Monoisotopic Mass

152.04734

InChI

InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey

XHQZJYCNDZAGLW-UHFFFAOYSA-N

SMILES

COC1=CC(=CC=C1)C(O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000118). See: PubMed

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):	flavouring agent A food additive that is used to added improve the taste or odour of a food. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	3-methoxybenzoic acid (CHEBI:88458) has functional parent 3-hydroxybenzoic acid (CHEBI:30764) 3-methoxybenzoic acid (CHEBI:88458) has role flavouring agent (CHEBI:35617) 3-methoxybenzoic acid (CHEBI:88458) has role human urinary metabolite (CHEBI:84087) 3-methoxybenzoic acid (CHEBI:88458) is a methoxybenzoic acid (CHEBI:25238) 3-methoxybenzoic acid (CHEBI:88458) is conjugate acid of 3-methoxybenzoate (CHEBI:180538)

Incoming	3-methoxybenzoate (CHEBI:180538) is conjugate base of 3-methoxybenzoic acid (CHEBI:88458)

IUPAC Name

3-methoxybenzoic acid

Last Modified

27 September 2021