In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05039DES
Common NamePGP(P-14:0/20:4(7E,10E,13E,16E))
Systematic Name1-(1Z-tetradecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho-
(1'-sn-glycerol-3'-phosphate)
SynonymsPGP(P-34:4); PGP(P-14:0/20:4)
Exact Mass
806.4499 (neutral)    Calculate m/z:
FormulaC40H72O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
PubChem Compound ID (CID)-
InChIKeyXHKHKIZTMQMRHR-SZRONQNFSA-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/h7,9,13,15,18-19,21-22,31,33,38-39,41H,3-6,8,10-12,14,16-17,20,23
-30,32,34-37H2,1-2H3,(H,46,47)(H2,43,44,45)/b9-7+,15-13+,19-18+,22-21+,33-31-/t3
8-,39+/m0/s1
SMILES[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)
(O)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)