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Ligand 3-methoxybenzaldehyde

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Basic Ligand Information

Molecular Structure
Picture of 3-methoxybenzaldehyde (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C8H8O2
3-methoxybenzaldehyde
WMPDAIZRQDCGFH-UHFFFAOYSA-N
Synonyms:
3-anisyl aldehyde, 3-Methoxy-benzaldehyde, 3-Methoxybenzaldhyde, 3-methoxybenzylaldehyde, 3methoxybenzaldehyde, m-anisaldehyde, m-methoxy-benzaldehyde, m-methoxybenzaldehyde

Roles as Enzyme Ligand

In Vivo Product in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3-methoxybenzyl alcohol + NAD+ = 3-methoxybenzaldehyde + NADH + H+
show the reaction diagram
-
3-methoxybenzyl alcohol + O2 = 3-methoxybenzaldehyde + H2O2
show the reaction diagram
-

Substrate in Enzyme-catalyzed Reactions (36 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
m-methoxybenzaldehyde + NADPH + H+ = m-methoxybenzyl alcohol + NADP+
show the reaction diagram
-
3-methoxybenzaldehyde + NADPH + H+ = 3-methoxybenzyl alcohol + NADP+
show the reaction diagram
-
3-methoxybenzaldehyde + NADPH = 3-methoxybenzyl alcohol + NADP+
show the reaction diagram
-
3-methoxybenzaldehyde + H2O + O2 = 3-methoxybenzoate + H2O2
show the reaction diagram
-
3-methoxy-benzaldehyde + NAD+ + H2O = 3-methoxy-benzoate + NADH + H+
show the reaction diagram
-
3-methoxybenzaldehyde + NAD+ + H2O = 3-methoxybenzoate + NADH
show the reaction diagram
-
3-methoxybenzaldehyde + NAD+ + H2O = 3-methoxybenzoate + NADH + 2 H+
show the reaction diagram
-
3-methoxybenzaldehyde + NAD+ + H2O = 3-methoxybenzoate + NADH + H+
show the reaction diagram
-
3-methoxybenzaldehyde + NAD+ + H2O = 3-methoxybenzoate + NADH + H+
show the reaction diagram
-
3-methoxybenzaldehyde + NAD+ + H2O = 3-methoxybenzoate + NADH
show the reaction diagram
-
3-methoxybenzaldehyde + H2O + O2 = 3-methoxybenzoate + H2O2
show the reaction diagram
-
3-methoxybenzaldehyde + 2-oxoglutarate = (5R)-5-hydroxy-5-(3-methoxyphenyl)-4-oxopentanoic acid + CO2
show the reaction diagram
-

Product in Enzyme-catalyzed Reactions (15 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3-methoxybenzylalcohol + NADP+ = 3-methoxybenzaldehyde + NADPH
show the reaction diagram
-
3-methoxybenzyl alcohol + NADP+ = 3-methoxybenzaldehyde + NADPH
show the reaction diagram
-
3-methoxybenzyl alcohol + O2 = 3-methoxybenzaldehyde + H2O2
show the reaction diagram
-
3-methoxybenzyl alcohol + O2 = 3-methoxybenzaldehyde + H2O2
show the reaction diagram
-
3-methoxybenzoate + NADPH + H+ + ATP = 3-methoxybenzaldehyde + NADP+ + AMP + diphosphate
show the reaction diagram
-
3-Methoxybenzoate + reduced carbamoyl methyl viologen = 3-Methoxybenzaldhyde + carbamoyl methyl viologen
show the reaction diagram
-
m-methoxy-benzoylformate = m-methoxy-benzaldehyde + CO2
show the reaction diagram
-

Inhibitor in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
substrate inhibition
-

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (10 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
3.1
-
65°C
5.83
-
enzyme ALDH-2
1680
-
pH 4.2, 22°C
28.1
-
pH 6.0, 25°C

KM Value (19 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
4.4
-
65°C
0.106
-
-
0.00009
-
enzyme ALDH-2
0.94
-
-
0.94
-
in 100 mM glycine-NaOH (pH 9.2), at 25°C
0.5
-
isoform A
7.7
-
pH 4.2, 22°C
2.1
-
in 50 mM potassium phosphate buffer (pH 8), containing 0.5 mM thiamine diphosphate and 0.5 mM MgCl2
9.8
-
pH 6.0, 25°C

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0013
-
apparent Ki-value, pH 9.6, temperature not specified in the publication

IC50 Value (1 result)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
1.8
-
-

References & Links

Links to other databases for 3-methoxybenzaldehyde

ChEBI
PubChem
ChEBI
PubChem