Ligand 5-Methylsalicylate

Please wait a moment until all data is loaded. This message will disappear when all data is loaded.

Basic Ligand Information

Molecular Structure
Picture of 5-Methylsalicylate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C8H8O3
5-Methylsalicylate
DLGBEGBHXSAQOC-UHFFFAOYSA-M
Synonyms:
2-hydroxy-5-methylbenzoic acid
Pathway Source
Pathways

Roles as Enzyme Ligand

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

EC NUMBER
LITERATURE
REACTION DIAGRAM
PROVEN IN VIVO REACTION
ENZYME 3D STRUCTURE
show the reaction diagram
5-methylsalicylate + NADH + 2 H+ + O2 = 5-methylcatechol + NAD+ + H2O + CO2
-

Substrate in Enzyme-catalyzed Reactions (7 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
REACTION
ENZYME 3D STRUCTURE

Inhibitor in Enzyme-catalyzed Reactions (1 result)

COMMENTARY
EC NUMBER
LITERATURE
ENZYME 3D STRUCTURE

3D Structure of Enzyme-Ligand-Complex (PDB) (8 results)

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (4 results)

COMMENTARY
EC NUMBER
LITERATURE
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
pH 8.0
14.3
-
pH 8.0, temperature not specified in the publication
14.3
-
wild-type enzyme, pH and temperature not specified in the publication
2.1
-
pH not specified in the publication, 25°C
7.8
-

KM Value (4 results)

COMMENTARY
EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
LITERATURE
pH 8.0
0.328
-
pH 8.0, temperature not specified in the publication
0.328
-
wild-type enzyme, pH and temperature not specified in the publication
0.788
-
pH not specified in the publication, 25°C
0.0024
-

IC50 Value (1 result)

COMMENTARY
EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
LITERATURE
-
2.15
-

References & Links

Links to other databases for 5-Methylsalicylate

ChEBI
PubChem
-
PubChem