Ligand 4-methylpentanoate

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Basic Ligand Information

Molecular Structure
Picture of 4-methylpentanoate (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C6H12O2
4-methylpentanoate
FGKJLKRYENPLQH-UHFFFAOYSA-N
Synonyms:
2-oxooisohexanoate, 4-Methylpentanoic acid, 4-methylvalerate, alpha-isocaproic acid, Isocaproate, Isocaproic acid, Isohexanoate

Show all pahtways known for Show all BRENDA pathways known for 4-methylpentanoate

Roles as Enzyme Ligand

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

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-methylpentanoyl-CoA + (R)-2-hydroxy-4-methylpentanoate = 4-methylpentanoate + (R)-2-hydroxy-4-methylpentanoyl-CoA
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Substrate in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
alpha-isocaproic acid = 3-methylbutanal + CO2
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ATP + 4-methylvalerate + CoA = AMP + diphosphate + 4-methylvaleryl-CoA
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Product in Enzyme-catalyzed Reactions (4 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
(E)-4-methyl-2-pentenoate + NADH = 4-methylpentanoate + NAD+
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4-methylpentanoyl-CoA + (R)-2-hydroxy-4-methylpentanoate = 4-methylpentanoate + (R)-2-hydroxy-4-methylpentanoyl-CoA
show the reaction diagram
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4-methylpentanoyl-CoA + (R)-2-hydroxy-4-methylpentanoate = 4-methylpentanoate + (R)-2-hydroxy-4-methylpentanoyl-CoA
show the reaction diagram
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isocapronitrile + H2O = isohexanoate + NH3
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Inhibitor in Enzyme-catalyzed Reactions (9 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE

3D Structure of Enzyme-Ligand-Complex (PDB) (26 results)

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (1 result)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
10.9
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65°C, mutant enzyme W416G

KM Value (1 result)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
7.6
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65°C, mutant enzyme W416G

Ki Value (7 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE

References & Links

Links to other databases for 4-methylpentanoate

ChEBI
PubChem
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PubChem