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

Supplier Information	ChemicalBook:CB02130402

Download	Molfile XML SDF

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Wikipedia	License
Tetrahydrocannabinol (THC) is a cannabinoid found in cannabis. It is the principal psychoactive constituent of Cannabis and one of at least 113 total cannabinoids identified on the plant. Although the chemical formula for THC (C21H30O2) describes multiple isomers, the term THC usually refers to the delta-9-THC isomer with chemical name (−)-trans-Δ9-tetrahydrocannabinol. It is a colorless oil.
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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