Ligand pentanoate

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Basic Ligand Information

Molecular Structure
Picture of pentanoate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C5H10O2
pentanoate
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
Synonyms:
n-pentanoate, n-pentanoic acid, n-valerate, n-valeric acid, pentanoic acid, valerate, Valeric acid

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
valeramide + H2O = valerate + NH3
show the reaction diagram
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valeronitrile + 2 H2O = valeric acid + NH3
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (13 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
valeric acid + 2-oxoglutarate + O2 = 2-hydroxyvaleric acid + succinate + CO2
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diphosphate + valerate = phosphate + valeryl phosphate
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ATP + pentanoate = ADP + pentanoyl phosphate
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ATP + valerate = ADP + pentanoyl phosphate
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acetyl-CoA + valerate = acetate + valeryl-CoA
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pentanoate + acetoacetyl-CoA = pentanoyl-CoA + acetoacetate
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ATP + pentanoate + CoA = AMP + diphosphate + pentanoyl-CoA
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Product in Enzyme-catalyzed Reactions (114 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
pentanal + acceptor + H2O = pentanoic acid + reduced acceptor
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penicillin G + 2-oxohexanoic acid + O2 = phenylacetyl-7-aminodeacetoxycephalosporanic acid + pentanoate + CO2 + H2O
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valeraldehyde + NAD+ + H2O = valerate + NADH + H+
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valeraldehyde + NAD+ + H2O = valeric acid + NADH + H+
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valeraldehyde + NAD(P)+ + H2O = n-pentanoate + NAD(P)H + H+
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pentanal + NAD+ = pentanoate + NADH
show the reaction diagram
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valeraldehyde + NADP+ + H2O = valerate + NADPH + H+
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n-pentanal + NADP+ + H2O = n-pentanoate + NADPH + H+
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valeraldehyde + NAD+ + H2O = pentanoate + NADH + H+
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Pentanal + benzyl viologen = Pentanoate + reduced benzyl viologen
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pentanal + H2O + benzylviologen = pentanoate + reduced benzylviologen
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cholesteryl valerate + H2O = cholesterol + valeric acid
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4-nitrophenyl pentanoate + H2O = 4-nitrophenol + pentanoate
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n-pentanoyl salicylate + H2O = 2-hydroxybenzoate + n-pentanoate
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p-nitrophenyl valerate + H2O = p-nitrophenol + valerate
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pentanoylthiocholine + H2O = thiocholine + pentanoate
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1-naphthyl pentanoate + H2O = pentanoic acid + 1-naphthol
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delta valerolactone + H2O = valerate
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valeryl-CoA = pentanoate + CoA
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p-nitrophenyl valerate + H2O = p-nitrophenol + pentanoate
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C5-ceramide + H2O = valerate + sphingosine
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valeramide + H2O = valeric acid + NH3
show the reaction diagram
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N-methylvaleramide + H2O = methylamine + pentanoate
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pentanamide + H2O = pentanoate + NH3
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valeryl-CoA + H2O = valerate + CoA
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pentanamide + H2O = pentanoate + NH3
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6-(N-pentanoyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol + H2O = 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol + pentanoate
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valeronitrile + H2O = valeric acid + NH3
show the reaction diagram
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2,4-diketooctanoate + H2O = pyruvate + pentanoate
show the reaction diagram
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5,7-dodecanedione + H2O = valeric acid + 2-hexanone
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (14 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
IC50 0.25 mM, pH 6.5
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38% inhibition at 25 mM
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83% residual activity at 0.5 mM
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IC50 of 0.5 mM
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3D Structure of Enzyme-Ligand-Complex (PDB) (4 results)

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (3 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
11.9
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65°C, mutant enzyme W416G

KM Value (9 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
12.5
-
pH 7.5, 30°C
7
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pH 7.5, 25°C
11.1
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65°C, mutant enzyme W416G
0.38
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Ki Value (3 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
3600
-
pH 6.5, 30°C

IC50 Value (2 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.25
-
IC50 0.25 mM, pH 6.5
0.5
-
IC50 of 0.5 mM

References & Links

Links to other databases for pentanoate

ChEBI
PubChem
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PubChem