In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04019AD7
Common NamePG(11:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name1-undecanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-
(1'-sn-glycerol)
SynonymsPG(33:6); PG(11:0_22:6)
Exact Mass
724.4315 (neutral)    Calculate m/z:
FormulaC39H65O10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassDiacylglycerophosphoglycerols [GP0401]
PubChem Compound ID (CID)-
InChIKeyKFDVKVRWZGMUPW-ZGEABTEDSA-N
InChIInChI=1S/C39H65O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-3
9(43)49-37(35-48-50(44,45)47-33-36(41)32-40)34-46-38(42)30-28-26-24-12-10-8-6-4-
2/h5,7,11,13,16-19,21-22,25,27,36-37,40-41H,3-4,6,8-10,12,14-15,20,23-24,26,28-3
5H2,1-2H3,(H,44,45)/b7-5-,13-11-,17-16+,19-18-,22-21-,27-25-/t36-,37+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COC(C
CCCCCCCCC)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)