In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04039DDO
Common NamePG(P-14:0/16:1(7Z))
Systematic Name1-(1Z-tetradecenyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(P-30:1); PG(P-14:0/16:1)
Exact Mass
676.4679 (neutral)    Calculate m/z:
FormulaC36H69O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
PubChem Compound ID (CID)-
InChIKeyDJEUZKSDQLWWAB-RWLSUALSSA-N
InChIInChI=1S/C36H69O9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-36(39)45-35(33-44-46
(40,41)43-31-34(38)30-37)32-42-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,27,2
9,34-35,37-38H,3-16,19-26,28,30-33H2,1-2H3,(H,40,41)/b18-17-,29-27-/t34-,35+/m0/
s1
SMILES[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCCC
CCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)