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BRENDA support

Ligand 4-methylsalicylic acid

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Basic Ligand Information

Molecular Structure
Picture of 4-methylsalicylic acid (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C8H8O3
4-methylsalicylic acid
NJESAXZANHETJV-UHFFFAOYSA-M
Synonyms:
2-hydroxy-4-methylbenzoate, 2-hydroxy-4-methylbenzoic acid, 4-methylsalicylate


Show all pahtways known for Show all BRENDA pathways known for 4-methylsalicylic acid

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
4-methylsalicylate + NADH + 2 H+ + O2 = 4-methylcatechol + NAD+ + H2O + CO2
show the reaction diagram
-

Substrate in Enzyme-catalyzed Reactions (6 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-methylsalicylic acid + NADH + O2 = ? + NAD+ + H2O
show the reaction diagram
-

Inhibitor in Enzyme-catalyzed Reactions (4 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
competitive with respect to hexanoate
-
strong
-

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (3 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
6.4
-
pH not specified in the publication, 25°C

KM Value (3 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0158
-
pH not specified in the publication, 25°C

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0014
-
pH 7.8, 37°C

IC50 Value (1 result)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
1.65
-
-

References & Links

Links to other databases for 4-methylsalicylic acid

ChEBI
PubChem
-
PubChem