Ligand (S)-2,3-epoxysqualene

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Basic Ligand Information

Molecular Structure
Picture of (S)-2,3-epoxysqualene (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C30H50O
(S)-2,3-epoxysqualene
QYIMSPSDBYKPPY-RSKUXYSASA-N
Synonyms:
(3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane, (3S)-2,3-epoxy-2,3-dihydrosqualene, (3S)-2,3-oxidosqualene, (3S)-oxidosqualene, (3S)-squalene-2,3-epoxide, (3S)-squalene epoxide, (S)-2,3-oxidosqualene, (S)-squalene-2,3-epoxide, 2,3 oxidosqualene, 2,3-epoxysqualene, 2,3-oxidosqualene, 2,3-oxidosqualine, oxidosqualene, squalene-2,3-epoxide, squalene 2,3-oxide, Squalene oxide

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Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (32 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
(3S)-2,3-epoxy-2,3-dihydrosqualene + H2O = dammarenediol II
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(3S)-2,3-epoxy-2,3-dihydrosqualene + H2O = lupan-3beta,20-diol
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(3S)-2,3-epoxy-2,3-dihydrosqualene = thalianol
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(3S)-2,3-epoxy-2,3-dihydrosqualene = cucurbitadienol
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(3S)-2,3-epoxy-2,3-dihydrosqualene = germanicol
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(3S)-2,3-epoxy-2,3-dihydrosqualene = camelliol C
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(3S)-2,3-epoxy-2,3-dihydrosqualene = alpha-amyrin
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(3S)-2,3-epoxy-2,3-dihydrosqualene = friedelin
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(3S)-2,3-epoxy-2,3-dihydrosqualene = marneral
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(3S)-2,3-epoxy-2,3-dihydrosqualene = astertarone A
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(3S)-2,3-epoxy-2,3-dihydrosqualene = orysatinol
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In Vivo Product in Enzyme-catalyzed Reactions (7 results)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE

Substrate in Enzyme-catalyzed Reactions (87 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
(S)-squalene-2,3-epoxide + H2O = (3S,13R)-malabarica-17,21-dien-3,14-diol
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(3S)-2,3-epoxy-2,3-dihydrosqualene + H2O = lupan-3beta,20-diol
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(S)-squalene-2,3-epoxide = isomultiflorenol
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(3S)-2,3-epoxy-2,3-dihydrosqualene = camelliol C
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(3S)-2,3-epoxy-2,3-dihydrosqualene = alpha-amyrin
show the reaction diagram
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(3S)-2,3-oxidosqualene = achilleol B
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(3S)-2,3-epoxy-2,3-dihydrosqualene = glutinol
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(3S)-2,3-epoxy-2,3-dihydrosqualene = friedelin
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(3S)-2,3-epoxy-2,3-dihydrosqualene = baccharis oxide
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(3S)-2,3-epoxy-2,3-dihydrosqualene = alpha-seco-amyrin
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(3S)-2,3-epoxy-2,3-dihydrosqualene = marneral
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(3S)-2,3-epoxy-2,3-dihydrosqualene = beta-seco-amyrin
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(3S)-2,3-epoxy-2,3-dihydrosqualene = delta-amyrin
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(3S)-2,3-epoxy-2,3-dihydrosqualene = baruol
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(3S)-2,3-epoxy-2,3-dihydrosqualene = astertarone A
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(3S)-2,3-epoxy-2,3-dihydrosqualene = orysatinol
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (10 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
alpha-amyrin + beta-amyrin = (S)-2,3-oxidosqualene
show the reaction diagram
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Inhibitor in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
IC50 is above 0.16 mM
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Enzyme Kinetic Parameters

kcat Value (Turnover Number) (4 results)

EC NUMBER
TURNOVER NUMBER [1/S]
TURNOVER NUMBER MAXIMUM [1/S]
COMMENTARY
LITERATURE
0.0075
-
pH 7.4, 37°C, recombinant His-tagged wild-type enzyme

KM Value (19 results)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.00425
-
pH 7.4, 37°C, recombinant His-tagged wild-type enzyme

IC50 Value (1 result)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.16
-
IC50 is above 0.16 mM

References & Links

Links to other databases for (S)-2,3-epoxysqualene

ChEBI
PubChem
ChEBI
PubChem