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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
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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.
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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
328025
Gmelin Registry Number
Gmelin
Last Modified
26 April 2021