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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28872 -
o
-toluate
Main
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ChEBI Name
o
-toluate
ChEBI ID
CHEBI:28872
ChEBI ASCII Name
o-toluate
Definition
A toluate that is the conjugate base of
o
-toluic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:19781
Supplier Information
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Formula
C8H7O2
Net Charge
-1
Average Mass
135.13998
Monoisotopic Mass
135.04515
InChI
InChI=1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey
ZWLPBLYKEWSWPD-UHFFFAOYSA-M
SMILES
Cc1ccccc1C([O-])=O
Roles Classification
Biological Role
(s):
xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
o
-toluate (
CHEBI:28872
)
has role
xenobiotic metabolite (
CHEBI:76206
)
o
-toluate (
CHEBI:28872
)
is a
toluate (
CHEBI:27021
)
o
-toluate (
CHEBI:28872
)
is conjugate base of
o
-toluic acid (
CHEBI:36632
)
Incoming
2-methylbenzoyl-AMP(1−) (
CHEBI:188503
)
has functional parent
o
-toluate (
CHEBI:28872
)
2-methylbenzoyl-CoA(4−) (
CHEBI:188502
)
is a
o
-toluate (
CHEBI:28872
)
o
-toluic acid (
CHEBI:36632
)
is conjugate acid of
o
-toluate (
CHEBI:28872
)
IUPAC Name
2-methylbenzoate
Synonyms
Sources
2-toluate
ChEBI
o-Methylbenzoate
UM-BBD
o-Methylbenzoate
KEGG COMPOUND
o-Toluate
KEGG COMPOUND
Manual Xrefs
Databases
c0251
UM-BBD
C07215
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1866622
Reaxys Registry Number
Reaxys
Last Modified
01 September 2014