In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05039DEE
Common NamePGP(P-14:0/20:0)
Systematic Name1-(1Z-tetradecenyl)-2-eicosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
SynonymsPGP(P-34:0); PGP(P-14:0/20:0)
Exact Mass
814.5125 (neutral)    Calculate m/z:
FormulaC40H80O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
PubChem Compound ID (CID)-
InChIKeyGTMSZEDKWIVSSU-UDZAHPOESA-N
InChIInChI=1S/C40H80O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-40(42)
52-39(37-51-54(46,47)50-35-38(41)34-49-53(43,44)45)36-48-33-31-29-27-25-23-16-14
-12-10-8-6-4-2/h31,33,38-39,41H,3-30,32,34-37H2,1-2H3,(H,46,47)(H2,43,44,45)/b33
-31-/t38-,39+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C
\CCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)