EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:29069 - phthalic acid

ChEBI IDCHEBI:29069
ChEBI Namephthalic acid
Stars
DefinitionA benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.
Secondary ChEBI IDsCHEBI:8174, CHEBI:14832, CHEBI:26093, CHEBI:44902
Last Modified15 March 2021
DownloadsMolfile
FormulaC8H6O4
Net Charge0
Average Mass166.132
Monoisotopic Mass166.02661
SMILESO=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKeyXNGIFLGASWRNHJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
N-alkylphthalic monoamide (CHEBI:28900) has functional parent phthalic acid (CHEBI:29069)
3,4-dihydroxyphthalic acid (CHEBI:17416) has functional parent phthalic acid (CHEBI:29069)
4-hydroxyphthalic acid (CHEBI:27600) has functional parent phthalic acid (CHEBI:29069)
4,5-dihydroxyphthalic acid (CHEBI:17199) 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
Synonyms  Source
Phthalic acidKEGG COMPOUND
1,2-Benzenedicarboxylic acidKEGG COMPOUND
PHTHALIC ACIDPDBeChem
o-benzenedicarboxylic acidNIST Chemistry WebBook
ortho-phthalic acidChEBI
Manual XrefsDatabases
C01606KEGG COMPOUND
PHTPDBeChem
DB02746DrugBank
Phthalic_acidWikipedia
Registry NumbersSources
Gmelin:27343Gmelin
Reaxys:608199Reaxys
CAS:88-99-3KEGG COMPOUND
CAS:88-99-3ChemIDplus
CAS:88-99-3NIST Chemistry WebBook
Citations