CHEBI:30800 - phthalate(1−)

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ChEBI Name phthalate(1−)
ChEBI ID CHEBI:30800
ChEBI ASCII Name phthalate(1-)
Definition A phthalate that is the conjugate base of phthalic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H5O4
Net Charge -1
Average Mass 165.12290
Monoisotopic Mass 165.01933
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-1
InChIKey XNGIFLGASWRNHJ-UHFFFAOYSA-M
SMILES OC(=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(1−) (CHEBI:30800) has role human xenobiotic metabolite (CHEBI:76967)
phthalate(1−) (CHEBI:30800) is a dicarboxylic acid monoanion (CHEBI:35695)
phthalate(1−) (CHEBI:30800) is a phthalate (CHEBI:26092)
phthalate(1−) (CHEBI:30800) is conjugate acid of phthalate(2−) (CHEBI:17563)
phthalate(1−) (CHEBI:30800) is conjugate base of phthalic acid (CHEBI:29069)
Incoming phthalic acid (CHEBI:29069) is conjugate acid of phthalate(1−) (CHEBI:30800)
phthalate(2−) (CHEBI:17563) is conjugate base of phthalate(1−) (CHEBI:30800)
IUPAC Name
2-carboxybenzoate
Synonym Source
hydrogen phthalate ChEBI
Registry Numbers Types Sources
1876115 Reaxys Registry Number Reaxys
1876115 Beilstein Registry Number Beilstein
328025 Gmelin Registry Number Gmelin
Last Modified
26 April 2021