Ligand 4-nitrobenzaldehyde

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Basic Ligand Information

Molecular Structure
Picture of 4-nitrobenzaldehyde (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H5NO3
4-nitrobenzaldehyde
BXRFQSNOROATLV-UHFFFAOYSA-N
Synonyms:
4-nitro-benzaldehyde, L-4-nitrobenzaldehyde, methyl 4-nitrobenzyl ether, p-nitrobenzaldehyde
Pathway Source
Pathways

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-nitrobenzaldehyde + NADPH + H+ = 4-nitrobenzylalcohol + NADP+
show the reaction diagram
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In Vivo Product in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-nitrobenzyl alcohol + O2 = 4-nitrobenzaldehyde + H2O2
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (92 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-nitrobenzaldehyde + NAD(P)H = 4-nitrobenzyl alcohol + NAD(P)+
show the reaction diagram
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4-nitrobenzaldehyde + NADPH + H+ = ?
show the reaction diagram
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4-nitrobenzaldehyde + NADPH = 4-nitrobenzyl alcohol + NADP+
show the reaction diagram
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p-nitrobenzaldehyde + NADPH = p-nitrobenzyl alcohol + NADP+
show the reaction diagram
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4-nitrobenzaldehyde + NADPH = ?
show the reaction diagram
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4-nitrobenzaldehyde + NADPH = 4-nitrobenzyl alcohol + NADP+
show the reaction diagram
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p-nitrobenzaldehyde + NADPH = p-nitrobenzylalcohol + NADP+
show the reaction diagram
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4-nitrobenzaldehyde + NADPH = 4-nitrobenzyl alcohol + NADP+
show the reaction diagram
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4-nitrobenzaldehyde + NAD(P)H = (4-nitrophenyl)methanol + NAD(P)+
show the reaction diagram
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4-nitrobenzaldehyde + NADPH = 4-nitrobenzylalcohol + NADP+
show the reaction diagram
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4-nitrobenzaldehyde + NADP+ = 4-nitrobenzoate + NADPH
show the reaction diagram
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4-nitrobenzaldehyde + NADPH = 4-nitrobenzyl alcohol + NADP+
show the reaction diagram
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4-nitrobenzaldehyde + NADPH + H+ = 4-nitrobenzyl alcohol + NADP+
show the reaction diagram
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4-nitrobenzaldehyde + NADPH + H+ = 4-nitrobenzoate + NADP+
show the reaction diagram
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4-nitrobenzaldehyde + NAD(P)H + H+ = (4-nitrophenyl)methanol + NAD(P)+
show the reaction diagram
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p-nitrobenzaldehyde + NAD(P)H = p-nitrobenzylalcohol + NAD(P)+
show the reaction diagram
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4-nitrobenzaldehyde + NADPH = 4-nitrobenzylalcohol + NADP+
show the reaction diagram
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4-nitrobenzaldehyde + H2O + O2 = 4-nitrobenzoate + H2O2
show the reaction diagram
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p-nitrobenzaldehyde + NAD+ + H2O = p-nitrobenzoate + NADH + H+
show the reaction diagram
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4-nitrobenzaldehyde + NAD+ + H2O = 4-nitrobenzoate + NADH + H+
show the reaction diagram
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4-nitrobenzaldehyde + NADP+ + H2O = 4-nitrobenzoate + NADPH + H+
show the reaction diagram
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4-nitrobenzaldehyde + NAD+ + H2O = 4-nitrobenzoate + NADH + 2 H+
show the reaction diagram
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4-nitrobenzaldehyde + NAD+ + H2O = 4-nitrobenzoate + NADH + H+
show the reaction diagram
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4-nitrobenzaldehyde + H2O + O2 = 4-nitrobenzoic acid + H2O2
show the reaction diagram
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4-nitrobenzaldehyde + NAD(P)H = 4-nitrobenzylalcohol + NAD(P)+
show the reaction diagram
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NADPH + H+ + 4-nitrobenzaldehyde = ?
show the reaction diagram
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p-nitrobenzaldehyde + NADPH + H+ = ? + NADP+
show the reaction diagram
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(S)-(-)-1-phenyl-ethylamine + 4-nitrobenzaldehyde = 4-nitrobenzylamine + L-alanine
show the reaction diagram
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4-nitrobenzaldehyde + pyruvate = 4-(4-nitrophenyl)-2-oxobut-3-enoate + H2O
show the reaction diagram
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4-nitrobenzaldehyde + HCN + H2O = ? + H2O
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4-nitrobenzaldehyde + nitromethane = 2-nitro-1-(4-nitrophenyl)ethanol
show the reaction diagram
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NADH + H+ + 4-nitrobenzaldehyde = NAD+ + ?
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Product in Enzyme-catalyzed Reactions (12 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-nitrobenzyl alcohol + NAD+ = 4-nitrobenzaldehyde + NADH + H+
show the reaction diagram
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p-nitrobenzylalcohol + NAD+ = p-nitrobenzaldehyde + NADH
show the reaction diagram
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4-nitrobenzyl alcohol + O2 = 4-nitrobenzaldehyde + H2O2
show the reaction diagram
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4-nitrobenzyl alcohol + O2 = 4-nitrobenzaldehyde + H2O2
show the reaction diagram
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(1E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-1-en-1-yl 4-nitrobenzoate + O2 = 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one + CO2 + 4-nitrobenzaldehyde
show the reaction diagram
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p-nitrobenzylamine + H2O + O2 = 4-nitrobenzaldehyde + NH3 + H2O2
show the reaction diagram
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p-nitrobenzoylformate = p-nitrobenzaldehyde + CO2
show the reaction diagram
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4-nitro-benzoylformic acid = 4-nitrobenzaldehyde + CO2
show the reaction diagram
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(1S)-2-nitro-1-(4-nitrophenyl)ethanol = 4-nitrobenzaldehyde + CH3NO2
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (6 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
competitive inhibition of PGD2 but not of PGH2 reduction
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at concentration above 2 mM substrate inhibition
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1 mM, 20% inhibition
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substrate inhibition
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3D Structure of Enzyme-Ligand-Complex (PDB) (25 results)

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (24 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
16.7
-
pH 7.4, 25°C
5.91
-
+/-33.4
0.57
-
in 0.1 M potassium phosphate, pH 7.4
1.24
-
1 mM
8.26
-
pH 8.5, 37°C
1.08
-
-
59
-
pH 8.0, temperature not specified in the publication
11.3
-
-
30
-
pH 7.0, 25°C

KM Value (98 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.43
-
-
0.45
-
-
0.163
0.211
-
0.1
-
-
0.0667
-
-
0.85
-
1 mM
0.28
-
pH 8.5, 37°C
0.087
-
NADPH, detection spectrophotometrically
0.04
-
-
0.011
-
pH 7.0
0.31
-
-
0.011
-
pH 8.0, temperature not specified in the publication
0.5
-
pH 7.7, coenzyme NAD+
0.27
-
isoform A
3.3
-
-
0.31
-
-
0.17
-
pH 7.0, 25°C

Ki Value (2 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.023
-
37°C, liver-type isozyme, versus prostaglandin D2
0.126
-
pH 8.0, temperature not specified in the publication

References & Links

Links to other databases for 4-nitrobenzaldehyde

ChEBI
PubChem
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PubChem