phthalic acid (CHEBI:29069)

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ChEBI Name	phthalic acid

ChEBI ID	CHEBI:29069

Definition	A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.

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

Secondary ChEBI IDs	CHEBI:26093, CHEBI:44902, CHEBI:8174, CHEBI:14832

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Formula

C8H6O4

Net Charge

Average Mass

166.13084

Monoisotopic Mass

166.02661

InChI

InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChIKey

XNGIFLGASWRNHJ-UHFFFAOYSA-N

SMILES

OC(=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):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology
Outgoing	phthalic acid (CHEBI:29069) has role human xenobiotic metabolite (CHEBI:76967) phthalic acid (CHEBI:29069) is a benzenedicarboxylic acid (CHEBI:26094) phthalic acid (CHEBI:29069) is conjugate acid of phthalate(1−) (CHEBI:30800)

Incoming	3,4-dihydroxyphthalic acid (CHEBI:17416) has functional parent phthalic acid (CHEBI:29069) 4,5-dihydroxyphthalic acid (CHEBI:17199) has functional parent phthalic acid (CHEBI:29069) 4-hydroxyphthalic acid (CHEBI:27600) has functional parent phthalic acid (CHEBI:29069) N-alkylphthalic monoamide (CHEBI:28900) has functional parent phthalic acid (CHEBI:29069) cyhalodiamide (CHEBI:87541) has functional parent phthalic acid (CHEBI:29069) phthalamide (CHEBI:38799) has functional parent phthalic acid (CHEBI:29069) phthalate ester (CHEBI:35484) has functional parent phthalic acid (CHEBI:29069) phthalylsulfathiazole (CHEBI:9336) has functional parent phthalic acid (CHEBI:29069) phthalate(1−) (CHEBI:30800) is conjugate base of phthalic acid (CHEBI:29069)

IUPAC Name

benzene-1,2-dicarboxylic acid

Last Modified

15 March 2021