In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05039DEA
Common NamePGP(P-14:0/18:3(9Z,12Z,15Z))
Systematic Name1-(1Z-tetradecenyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-
sn-glycerol-3'-phosphate)
SynonymsPGP(P-32:3); PGP(P-14:0/18:3)
Exact Mass
780.4343 (neutral)    Calculate m/z:
FormulaC38H70O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
PubChem Compound ID (CID)-
InChIKeyJVDOBSAEAIXYGC-VJEWORFXSA-N
InChIInChI=1S/C38H70O12P2/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/h5,7,11,13,17-18,29,31,36-37,39H,3-4,6,8-10,12,14-16,19-28,30,32-35H2,1
-2H3,(H,44,45)(H2,41,42,43)/b7-5-,13-11-,18-17-,31-29-/t36-,37+/m0/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O
)CO/C=C\CCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)