In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05029ABO
Common NamePGP(O-14:0/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name1-tetradecyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-(1'-
sn-glycerol-3'-phosphate)
SynonymsPGP(O-34:5); PGP(O-14:0/20:5)
Exact Mass
806.4499 (neutral)    Calculate m/z:
FormulaC40H72O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
PubChem Compound ID (CID)-
InChIKeyWJAFTXURNAYVBO-FJBFSXGVSA-N
InChIInChI=1S/C40H72O12P2/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/h5,7,11,13,17-18,20-21,24,26,38-39,41H,3-4,6,8-10,12,14-16,19,22-
23,25,27-37H2,1-2H3,(H,46,47)(H2,43,44,45)/b7-5-,13-11-,18-17-,21-20-,26-24-/t38
-,39+/m0/s1
SMILES[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP
(O)(O)=O)COCCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)