In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04039DD7
Common NamePG(P-14:0/18:2(9Z,11Z))
Systematic Name1-(1Z-tetradecenyl)-2-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-
glycerol)
SynonymsPG(P-32:2); PG(P-14:0/18:2)
Exact Mass
702.4836 (neutral)    Calculate m/z:
FormulaC38H71O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
PubChem Compound ID (CID)-
InChIKeyUOWCFIGWCXMCAA-XYPXBRQMSA-N
InChIInChI=1S/C38H71O9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-38(41)47-37(35
-46-48(42,43)45-33-36(40)32-39)34-44-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h13,1
5,17-18,29,31,36-37,39-40H,3-12,14,16,19-28,30,32-35H2,1-2H3,(H,42,43)/b15-13-,1
8-17-,31-29-/t36-,37+/m0/s1
SMILES[C@]([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCC
CCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)