In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05039DDT
Common NamePGP(P-14:0/18:0)
Systematic Name1-(1Z-tetradecenyl)-2-octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
SynonymsPGP(P-32:0); PGP(P-14:0/18:0)
Exact Mass
786.4812 (neutral)    Calculate m/z:
FormulaC38H76O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
PubChem Compound ID (CID)-
InChIKeyCJTJLBIVALICOC-HEEHXVFUSA-N
InChIInChI=1S/C38H76O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-38(40)50-37(
35-49-52(44,45)48-33-36(39)32-47-51(41,42)43)34-46-31-29-27-25-23-21-16-14-12-10
-8-6-4-2/h29,31,36-37,39H,3-28,30,32-35H2,1-2H3,(H,44,45)(H2,41,42,43)/b31-29-/t
36-,37+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\C
CCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)