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> Main
CHEBI:29069 - phthalic acid
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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
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Read full article at Wikipedia
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)
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 (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
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
Synonyms
Sources
1,2-Benzenedicarboxylic acid
KEGG COMPOUND
o
-benzenedicarboxylic acid
NIST Chemistry WebBook
ortho-phthalic acid
ChEBI
Phthalic acid
KEGG COMPOUND
PHTHALIC ACID
PDBeChem
Manual Xrefs
Databases
C01606
KEGG COMPOUND
DB02746
DrugBank
PHT
PDBeChem
Phthalic_acid
Wikipedia
View more database links
Registry Numbers
Types
Sources
27343
Gmelin Registry Number
Gmelin
608199
Reaxys Registry Number
Reaxys
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
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