CHEBI:17563 - phthalate(2−)

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ChEBI Name phthalate(2−)
ChEBI ID CHEBI:17563
ChEBI ASCII Name phthalate(2-)
Definition A phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14831, CHEBI:26090
Supplier Information
Download Molfile XML SDF
Formula C8H4O4
Net Charge -2
Average Mass 164.11496
Monoisotopic Mass 164.01206
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)/p-2
InChIKey XNGIFLGASWRNHJ-UHFFFAOYSA-L
SMILES [O-]C(=O)c1ccccc1C([O-])=O
Roles Classification
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 phthalate(2−) (CHEBI:17563) has role human xenobiotic metabolite (CHEBI:76967)
phthalate(2−) (CHEBI:17563) is a dicarboxylic acid dianion (CHEBI:28965)
phthalate(2−) (CHEBI:17563) is a phthalate (CHEBI:26092)
phthalate(2−) (CHEBI:17563) is conjugate base of phthalate(1−) (CHEBI:30800)
Incoming 3,4-dihydroxyphthalate(2−) (CHEBI:58137) has functional parent phthalate(2−) (CHEBI:17563)
phthalate(1−) (CHEBI:30800) is conjugate acid of phthalate(2−) (CHEBI:17563)
IUPAC Name
benzene-1,2-dicarboxylate
Synonyms Sources
1,2-benzenedicarboxylate ChEBI
phthalate UniProt
Manual Xrefs Databases
C01606 KEGG COMPOUND
c0181 UM-BBD
View more database links
Registry Numbers Types Sources
3198-29-6 CAS Registry Number ChemIDplus
3530 Gmelin Registry Number Gmelin
3906509 Reaxys Registry Number Reaxys
Last Modified
26 April 2021