Detail Information

P450 Protein:

P450 SymbolCyp2e1
Protein NameCytochrome P450 2E1
Uniprot IDP05182
EC Number1.14.14.1
SpeciesRattus norvegicus
Txid 10116
P450 Protein Structure
Model Confidence (pLDDT)
Very high (>90)
High (90 > 70)
Low (70 > 50)
Very low (<50)
Subcellular Location
Protein Sequence GO

Reaction Scheme:

Chemical Conversion C39H56ClO6P → C30H49O6P
Reaction TypeOxidation
Chemical Bond
TransformationsCleavage of P-O, P-N and P=N Bonds

(3beta)-3-[[(2S,4R)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]oxy]olean-12-en-28-oic acid

Cyp2e1

(3beta)-3-(Phosphonooxy)olean-12-en-28-oic acid

Substrate Information:

Substrate Name (3beta)-3-[[(2S,4R)-4-(3-Chlorophenyl)-2-oxido-1,3,2-dioxaphosphorinan-2-yl]oxy]olean-12-en-28-oic acid
Substrate Chemical FormulaC39H56ClO6P
Substrate SmilesC[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](OP6(=O)O[C@H](CCO6)C7=CC(Cl)=CC=C7)CC5)[H])[H]
Substrate Structure

Product Information:

Product Name (3beta)-3-(Phosphonooxy)olean-12-en-28-oic acid
Product Chemical FormulaC30H49O6P
Product CAS Number99124-02-4
Product SmilesC[C@]12[C@@]3(C)C([C@]4([C@@](C(O)=O)(CC3)CCC(C)(C)C4)[H])=CC[C@@]1([C@]5(C)[C@@](CC2)(C(C)(C)[C@@H](OP(=O)(O)O)CC5)[H])[H]
Product Structure

References:

Title: Pharmacokinetics in Vitro and in Vivo of Two Novel Prodrugs of Oleanolic Acid in Rats and Its Hepatoprotective Effects against Liver Injury Induced by CCl4.
PMID: 27018970
Journal: Molecular Pharmaceutics
Year: 2016/3/28

Contact zhy1001@alu.uestc.edu.cn or yangzhang@cdutcm.edu.cn
© Department of Bioinformatics