CHEBI:29069 - phthalic acid

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ChEBI Name phthalic acid
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 0
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)
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.
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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)
benzene-1,2-dicarboxylic acid
Synonyms Sources
1,2-Benzenedicarboxylic acid KEGG COMPOUND
o-benzenedicarboxylic acid NIST Chemistry WebBook
ortho-phthalic acid ChEBI
Phthalic acid KEGG COMPOUND
Manual Xrefs Databases
DB02746 DrugBank
Phthalic_acid Wikipedia
View more database links
Registry Numbers Types Sources
27343 Gmelin Registry Number Gmelin
608199 Reaxys Registry Number Reaxys
608199 Beilstein Registry Number Beilstein
88-99-3 CAS Registry Number KEGG COMPOUND
88-99-3 CAS Registry Number NIST Chemistry WebBook
88-99-3 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10682108 PubMed citation Europe PMC
15016950 PubMed citation Europe PMC
16804812 PubMed citation Europe PMC
9838120 PubMed citation Europe PMC
Last Modified
15 March 2021