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

General Information of Drug (ID: DR2039)
Drug Name
Myrisglycerol-phosphate
Synonyms
Myristoyl lysophosphatidic acid; PA(14:0/0:0); (2R)-2-hydroxy-3-(phosphonooxy)propyl myristate; 1-Myristoyl-sn-glycerol 3-phosphate; 1-O-myristoyl-sn-glycerol 3-phosphate; 1-O-tetradecanoyl-sn-glycerol 3-phosphate; 1-myristoyl LPA; 1-myristoyl lysophosphatidic acid; 1-myristoyl-2-lyso-sn-glycerol 3-phosphatidic acid; 1-myristoylglycerol 3-phosphate; 1-tetradecanoyl-sn-glycero-3-phosphate; 1-tetradecanoyl-sn-glycerol 3-phosphate; 1-tetradecanoylglycerol 3-phosphate; CHEBI:62833
Indication Discovery agent Investigative [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 382.4 Topological Polar Surface Area 113
Heavy Atom Count 25 Rotatable Bond Count 18
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
9547180
ChEBI ID
CHEBI:62833
CAS Number
65446-07-3
Formula
C17H35O7P
Canonical SMILES
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
1S/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)/t16-/m1/s1
InChIKey
FAZBDRGXCKPVJU-MRXNPFEDSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Glycerophosphoric acid DM002134
754
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Gut microbial environment
Myrisglycerol-phosphate M1 PDM007576 N. A. Oxidation - Oxidation of acylglycerol-3-phosphate 1 Human
Myrisglycerol-phosphate M2 PDM007577
11005
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Gut microbial environment
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Bifunctional epoxide hydrolase 2 (EPHX2) DME0389 Homo sapiens
HYES_HUMAN
3.3.2.10
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Bifunctional epoxide hydrolase 2 (EPHX2) DME0389 Km = 0.0051 microM
HYES_HUMAN
[2]
References
1 Lysophosphatidic acid-induced Ca2+ mobilization in human A431 cells: structure-activity analysis. Biochem J. 1995 Apr 15;307 ( Pt 2):609-16.
2 Role of soluble epoxide hydrolase phosphatase activity in the metabolism of lysophosphatidic acids. Biochem Biophys Res Commun. 2012 Mar 23;419(4):796-800.

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