Ligand 4-Methylbenzoate

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Basic Ligand Information

Molecular Structure
Picture of 4-Methylbenzoate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C8H8O2
4-Methylbenzoate
KEFAHNNQIPSIMC-FXWIDUTLSA-N
Synonyms:
4-methylbenzoic acid, 4-toluate, 4-toluic acid, p-Methylbenzoate, p-methylbenzoic acid, p-Toluoate, Toluate

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
ATP + Acm acyl carrier protein + 4-methylbenzoic acid = ?
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (10 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-toluate + NADPH + O2 = ?
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4-methylbenzoate + [reduced NADPH-hemoprotein reductase] + O2 = ?
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4-Methylbenzoate + reduced carbamoyl methyl viologen = 4-Methylbenzaldehyde + carbamoyl methyl viologen
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ATP + Acm acyl carrier protein + 4-methylbenzoic acid = ?
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ATP + 4-methylbenzoate + CoA = AMP + diphosphate + 4-methylbenzoyl-CoA
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ATP + 4-methylbenzoate + CoA = AMP + diphosphate + 4-methylbenzoyl-CoA
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4-Methylbenzoate + CoA + ATP = 4-Methylbenzoyl-CoA + AMP + diphosphate
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Product in Enzyme-catalyzed Reactions (18 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-methylbenzaldehyde + H2O + O2 = 4-methylbenzoate + H2O2
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4-methylbenzaldehyde + NAD+ + H2O = 4-methylbenzoate + NADH
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4-methylbenzaldehyde + NAD+ + H2O = 4-methylbenzoate + NADH + H+
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4-methylbenzoyl-CoA + H2O = 4-methylbenzoate + CoA
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beta-(4-methylbenzoyl)-DL-alanine + H2O = 4-methylbenzoate + beta-alanine
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Inhibitor in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE

3D Structure of Enzyme-Ligand-Complex (PDB) (1 result)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (1 result)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
0.7
-
pH 8.0, 31°C, recombinant wild-type enzyme

KM Value (5 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
5
-
-
0.59
-
pH 8.0, 31°C, recombinant wild-type enzyme

IC50 Value (1 result)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.35
-
-

References & Links

Links to other databases for 4-Methylbenzoate

ChEBI
PubChem
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PubChem