Details of the Drug

General Information of Drug (ID: DMVMHTC)

• 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
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 382.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 18
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H35O7P
  IUPAC Name: [(2R)-2-hydroxy-3-phosphonooxypropyl] tetradecanoate
  Canonical SMILES: CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
  InChI: FAZBDRGXCKPVJU-MRXNPFEDSA-N
  InChIKey: 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
• Cross-matching ID:
  PubChem CID: 9547180
  ChEBI ID: CHEBI:62833
  CAS Number: 65446-07-3
  INTEDE ID: DR2039

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Bifunctional epoxide hydrolase 2 (EPHX2) Main DME	DER5U19	HYES_HUMAN	Substrate	[1]

References

• [1] Role of soluble epoxide hydrolase phosphatase activity in the metabolism of lysophosphatidic acids. Biochem Biophys Res Commun. 2012 Mar 23;419(4):796-800.