Ligand citral

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Basic Ligand Information

Molecular Structure
Picture of citral (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C10H16O
citral
WTEVQBCEXWBHNA-JXMROGBWSA-N
Synonyms:
(2E)-3,7-dimethylocta-2,6-dienal, (E)-geranial, 3,7-dimethyl-2,6-octadienal, 3,7-dimethylocta-trans-2,6-dien-1-al, geranial


Show all pahtways known for Show all BRENDA pathways known for citral

Roles as Enzyme Ligand

In Vivo Product in Enzyme-catalyzed Reactions (6 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
geraniol + NAD+ = geranial + NADH + H+
show the reaction diagram
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Substrate in Enzyme-catalyzed Reactions (20 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
(2E)-3,7-dimethylocta-2,6-dienal + NADPH + H+ = (2E)-3,7-dimethylocta-2,6-dien-1-ol + NADP+
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citral + NAD(P)H = citrol + NAD(P)+
show the reaction diagram
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citral + ubiquinol = ? + ubiquinone
show the reaction diagram
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citral + NAD+ + H2O = (2E)-3,7-dimethylocta-2,6-dienoic acid + NADH
show the reaction diagram
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geranial + H2O + NAD+ = geranate + NADH + H+
show the reaction diagram
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citral + NAD+ + H2O = 3,7-dimethyl-2,6-octadienoate + NADH + 2 H+
show the reaction diagram
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citral + H2O + O2 = (2E)-3,7-dimethylocta-2,6-dienoic acid + H2O2
show the reaction diagram
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3,7-dimethyl-2,6-octadienal + H2O + O2 = 3,7-dimethyl-2,6-octadienoate + ?
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citral + NADPH + H+ = ?
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Product in Enzyme-catalyzed Reactions (18 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
geraniol + NAD+ = geranial + NADH
show the reaction diagram
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geraniol + NADP+ = geranial + NADPH + H+
show the reaction diagram
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(E)-geraniol + NADP+ = (E)-geranial + NADPH + H+
show the reaction diagram
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geraniol + NAD+ = geranial + NADH + H+
show the reaction diagram
-
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geraniol + NAD+ = geranial + NADH + H+
show the reaction diagram
-
-
geraniol + NAD+ = geranial + NADH + H+
show the reaction diagram
-
-
geraniol + O2 = 3,7-dimethylocta-trans-2,6-dien-1-al + H2O2
show the reaction diagram
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geraniol + ubiquinone = geranial + ubiquinol
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (7 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
noncompetitive inhibitor
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about 25% inhibition at 0.1 mM
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32.6% inhibition at 1 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) (2 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE

KM Value (8 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.1
-
-
1.3
-
pH 9.0, 30°C
0.69
-
pH 9.5, 35°C

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.32
-
pH 6.8, 35°C

IC50 Value (2 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
1.62
-
-
0.001
-
IC50 about 0.001 mM

References & Links

Links to other databases for citral

ChEBI
PubChem
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PubChem