Ligand acrylonitrile

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Basic Ligand Information

Molecular Structure
Picture of acrylonitrile (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C3H3N
acrylonitrile
NBSCHQHZLSJFNQ-SVZMEOIVSA-N
Synonyms:
acrylnitrile


Show all pahtways known for Show all BRENDA pathways known for acrylonitrile

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
acrylonitrile + H2O = acrylamide
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (16 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
acrylonitrile + H2O2 = ? + H2O
show the reaction diagram
-
acrylonitrile + H2O2 = cyanide + H2O
show the reaction diagram

Product in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
acrylamide + H2O = acrylonitrile
show the reaction diagram
-

Activator in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
below
-

Inhibitor in Enzyme-catalyzed Reactions (4 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
68 and 48% residual activity at 2.5 and 5.0 mM, respectively
-
Ki: 34 mM
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3D Structure of Enzyme-Ligand-Complex (PDB) (1 result)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

kcat Value (Turnover Number) (15 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
0.01
-
pH 6.0, 25°C
0.33
-
pH 7.0, 30°C

KM Value (33 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
5.88
-
-
0.66
-
-

Ki Value (4 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
34
-
-

IC50 Value (2 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE

References & Links

Links to other databases for acrylonitrile

ChEBI
PubChem
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PubChem