Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2676)
Drug Name
Phytosterols
Synonyms Phytosterols; Phytosterol; Phytosterol compound; 68441-03-2; AC-13728
Indication Hypertriglyceridaemia [ICD11: 5C80] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 414.7 Topological Polar Surface Area 20.2
Heavy Atom Count 30 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
12303662
CAS Number
68441-03-2
Formula
C29H50O
Canonical SMILES
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
InChI
1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26?,27+,28+,29-/m1/s1
InChIKey
KZJWDPNRJALLNS-ICLVQLPZSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Cholesteryl ester DM006981 N. A. Conjugation - Esterification 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007602 Phytosterols Cholesteryl ester Conjugation - Esterification SOAT2 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Acyl-coenzyme A:cholesterol acyltransferase 2 (SOAT2) DMEN378 Homo sapiens
SOAT2_HUMAN
2.3.1.26
[2]
Unclear metabolic mechanism (DME-unclear) DME1758 Paenibacillus aestuarii Not Available Not Available [3] , [4]
References
1 Phytosterols in the treatment of hypercholesterolemia and prevention of cardiovascular diseases. Arq Bras Cardiol. 2017 Nov;109(5):475-482.
2 The Bioavailability and Biological Activities of Phytosterols as Modulators of Cholesterol Metabolism
3 Degradation of phytosterols in tobacco waste extract by a novel Paenibacillus sp. Biotechnol Appl Biochem. 2017 Nov;64(6):843-850.
4 Dysbiotic gut microbes may contribute to hypertension by limiting vitamin D production. Clin Cardiol. 2019 Aug;42(8):710-719.

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