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

General Information of Drug (ID: DR2682)
Drug Name
Phosethanolamine
Synonyms
Phosphatidylethanolamine; PHOSPHATIDYLETHANOLAMINE; Q27464388; (1s)-2-{[(2-Aminoethoxy)(Hydroxy)phosphoryl]oxy}-1-[(Palmitoyloxy)methyl]ethyl Stearate; 1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Indication Parkinsonism [ICD11: 8A00] Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 720 Topological Polar Surface Area 134
Heavy Atom Count 49 Rotatable Bond Count 41
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
16040250
Formula
C39H78NO8P
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChI
1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m0/s1
InChIKey
RPJZYOHZALDGKI-QNGWXLTQSA-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
MMPE DM004193
9547031
Conjugation - Methylationn 1 [3]
Phosethanolamine Metabolite M1 DM004195 N. A. Hydrolysis - Hydrolyzation 1 [2]
Phosethanolamine Metabolite M2 DM004196 N. A. Conjugation - Methylationn 1 [4]
DMPE DM004194
91746152
Conjugation - Methylationn 2 [3]
Protocatechuate DM002607
72
Conjugation - Methylationn 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004586 Phosethanolamine MMPE Conjugation - Methylationn Pmts [3]
MR004589 Phosethanolamine Phosethanolamine Metabolite M1 Hydrolysis - Hydrolyzation plc [2]
MR004590 Phosethanolamine Phosethanolamine Metabolite M2 Conjugation - Methylationn Pmts [4]
MR004587 MMPE DMPE Conjugation - Methylationn Pmts [3]
MR004588 DMPE 3,4-Dihydroxybenzoic acid Conjugation - Methylationn Pmts [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Phospholipase C (plc) DME1778 Clostridium novyi
PHLC_CLONO
3.1.4.3
[2]
phospholipid N-methyltransferases (Pmts) DMEN221 . Not Available Not Available [3]
References
1 Ethanolamine and phosphatidylethanolamine: partners in health and disease. Oxid Med Cell Longev. 2017;2017:4829180.
2 Phospholipase C from Clostridium novyi type A. I. Biochim Biophys Acta. 1975 Oct 21;409(1):75-85.
3 Phospholipid N-Methyltransferases Produce Various Methylated Phosphatidylethanolamine Derivatives in Thermophilic Bacteria
4 Roles for the methylation of phosphatidylethanolamine

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