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
Structure
3D MOL is unavailable 2D MOL
#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
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
Cross-matching ID
PubChem CID
9547180
ChEBI ID
CHEMBL62833
CAS Number
65446-07-3
INTEDE ID
DR2039
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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]
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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.