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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:28856 -
p
-toluate
Main
ChEBI Ontology
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ChEBI Name
p
-toluate
ChEBI ID
CHEBI:28856
ChEBI ASCII Name
p-toluate
Definition
A toluate that is the conjugate base of
p
-toluic acid, obtained by deprotonation of the carboxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20481
Supplier Information
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Molfile
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Molfile
Formula
C8H7O2
Net Charge
-1
Average Mass
135.14050
Monoisotopic Mass
135.04515
InChI
InChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKey
LPNBBFKOUUSUDB-UHFFFAOYSA-M
SMILES
Cc1ccc(cc1)C([O-])=O
ChEBI Ontology
Outgoing
p
-toluate (
CHEBI:28856
)
is a
toluate (
CHEBI:27021
)
p
-toluate (
CHEBI:28856
)
is conjugate base of
p
-toluic acid (
CHEBI:36635
)
Incoming
4-methylbenzoyl-AMP(1−) (
CHEBI:188484
)
has functional parent
p
-toluate (
CHEBI:28856
)
4-methylbenzoyl-CoA(4−) (
CHEBI:188478
)
has functional parent
p
-toluate (
CHEBI:28856
)
p
-toluic acid (
CHEBI:36635
)
is conjugate acid of
p
-toluate (
CHEBI:28856
)
IUPAC Name
4-methylbenzoate
Synonyms
Sources
4-methylbenzoate
UniProt
4-toluenecarboxylate
ChEBI
p-Toluate
UM-BBD
p-Toluate
KEGG COMPOUND
Toluate
KEGG COMPOUND
Manual Xrefs
Databases
C01454
KEGG COMPOUND
c0202
UM-BBD
View more database links
Registry Numbers
Types
Sources
3904552
Beilstein Registry Number
Beilstein
3904552
Reaxys Registry Number
Reaxys
Last Modified
20 December 2021