Ligand hexanal

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Basic Ligand Information

Molecular Structure
Picture of hexanal (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C6H12O
hexanal
JARKCYVAAOWBJS-UHFFFAOYSA-N
Synonyms:
1-hexanal, 1-hexanone, caproaldehyde, capronaldehyde, capronic aldehyde, hexaldehyde, hexan-1-al, hexanaldehyde, hexylaldehyde, n-hexanal, n-hexylaldehyde

Roles as Enzyme Ligand

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

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
hexanal + NAD(P)H + H+ = hexan-1-ol + NAD(P)+
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hexanal + NAD+ + H2O = ?
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In Vivo Product in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
1-hexanol + NAD(P)+ = hexanal + NAD(P)H + H+
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(9Z,11E,13S)-13-hydroperoxy-9,11-octadecadienoic acid = hexanal + 12-oxo-9-dodecenoic acid
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Substrate in Enzyme-catalyzed Reactions (88 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
hexanal + NADPH + H+ = ?
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hexanal + NADPH = hexan-1-ol + NADPH + H+
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hexanal + NADPH + H+ = hexanol + NADP+
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hexanal + NADH + H+ = hexanol + NAD+
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hexanal + NADPH = hexanol + NADP+
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hexanal + acceptor + H2O = hexanoic acid + reduced acceptor
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hexylaldehyde + CoA + NAD+ = hexanoyl-CoA + NADH
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capronaldehyde + NAD+ + H2O = capronate + NADH + H+
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hexylaldehyde + NAD(P)+ + H2O = n-hexanoate + NAD(P)H + H+
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hexaldehyde + NAD+ + H2O = n-hexanoic acid + NADH
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hexanal + NAD+ + H2O = hexanoate + NADH + H+
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hexanal + NAD+ + H2O = hexanoate + NADH + H+
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hexanal + CoA + NAD+ = hexanoyl-CoA + NADH
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caproaldehyde + coenzyme A + NADP+ = n-hexanoyl-CoA + NADPH + H+
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n-hexanal + NADP+ + H2O = hexanoate + NADPH + H+
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hexanal + a quinone + H2O = hexanoate + a quinol
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hexanal + H2O + oxidized methyl viologen = hexanoate + H+ + reduced methyl viologen
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hexanal + H2O + oxidized methyl viologen = hexanoate + reduced methyl viologen + H+
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Hexanal + benzyl viologen = Hexanoate + reduced benzyl viologen
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hexanal + H2O + benzylviologen = hexanoate + reduced benzylviologen
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hexanal + 2-oxoglutarate = (5R)-5-hydroxy-4-oxodecanoic acid + CO2
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hexanaldehyde + (S)-(-)-1-phenylethylamine = ?
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taurine + hexanal = 2-sulfoacetaldehyde + hexyl-1-amine
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D-alanine + hexanal = 2-amino-3-hydroxy-2-methyloctanoic acid
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hexaldehyde + pyruvate = 4-hydroxy-2-oxononanoate
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pyruvate + hexaldehyde = ?
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n-hexanal + O2 + 2 NADPH + 2 H+ = n-pentane + formate + H2O + 2 NADP+
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hexanal + [(Z)-2-nitroethenyl]benzene = (2R)-2-[(1S)-2-nitro-1-phenylethyl]hexanal
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Product in Enzyme-catalyzed Reactions (78 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
n-hexanol + NAD+ + H2O = n-hexanal + NADH
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1-hexanol + NAD+ = hexanal + NADH
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1-hexanol + NAD+ = hexanal + NADH + H+
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n-hexanol + NAD+ = n-hexanal + NADH
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1-hexanol + ferricytochrome c = hexanal + ferrocytochrome c + H+
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1-hexanol + O2 = n-hexanal + H2O2
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hexanol + O2 = hexanal + H2O2
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1-hexanol + ferricyanide = hexanal + ferrocyanide
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n-hexanol + acceptor = n-hexanal + reduced acceptor
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1-hexanol + acceptor = n-hexanal + reduced acceptor
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1-hexanol + N,N-dimethyl-4-nitrosoaniline = hexanal + 4-(hydroxylamino)-N,N-dimethylaniline
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hexanesulfonic acid + FMNH2 + O2 = hexanal + FMN + sulfite + H2O
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caproic acid + ATP + NADPH + H+ = caproaldehyde + AMP + diphosphate + NADP+
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n-hexanoyl-CoA + NADPH + H+ = caproaldehyde + coenzyme A + NADP+
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n-hexanol + p-nitroso-N,N-dimethylaniline = n-hexanal + reduced p-nitroso-N,N-dimethylaniline
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trans-2-hexenal + NAD(P)H = hexanal + NAD(P)+
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hexylamine + H2O + O2 = hexanal + NH3 + H2O2
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n-hexylamine + acceptor + H2O = hexanal + NH3 + reduced acceptor
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N6-hexyladenine + electron acceptor = hexanal + adenine + reduced electron acceptor
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2-hexenal + NADPH = hexanal + NADP+
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2-oxooctanoic acid = n-hexanal + CO2
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hexanal cyanohydrin = hexanal + HCN
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(9Z,11E,13S)-13-hydroperoxy-9,11-octadecadienoic acid = hexanal + 12-oxo-9-dodecenoic acid
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (6 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
presence of NADPH, Ki: 0.79 mM, presence of NADH, Ki: 2.8 mM
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competitive inhibitor with respect to ethylnitronate as substrate
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substrate inhibition
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irreversible product inhibition, hexanal efficiently and specifically binds to the sulfhydryl groups in the active site of the enzyme through conjugate addition, hexanal seems to form a schiff base with the surface amino groups of the zymoprotein
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3D Structure of Enzyme-Ligand-Complex (PDB) (2 results)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (24 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
0.043
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at pH 7.4 and 37°C
359
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pH 7.0, 25°C
1.47
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29
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21.8
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pH 7.5

KM Value (61 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0076
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at pH 7.4 and 37°C
5.5
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pH 6.5, 30°C
0.003
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same value with benzaldehyde, constant substrate 1 mM NAD+
0.0814
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0.072
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0.0056
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pH 7.5
0.009
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0.05
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0.37
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Ki Value (4 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
60
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pH 7.4, 30°C
1
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References & Links

Links to other databases for hexanal

ChEBI
PubChem
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PubChem