In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04039DDG
Common NamePG(P-14:0/11:0)
Systematic Name1-(1Z-tetradecenyl)-2-undecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(P-25:0); PG(P-14:0/11:0)
Exact Mass
608.4053 (neutral)    Calculate m/z:
FormulaC31H61O9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
PubChem Compound ID (CID)-
InChIKeyOREXSRRCRJPVBM-QPCOUCKLSA-N
InChIInChI=1S/C31H61O9P/c1-3-5-7-9-11-13-14-15-16-18-20-22-24-37-27-30(28-39-41(35,36
)38-26-29(33)25-32)40-31(34)23-21-19-17-12-10-8-6-4-2/h22,24,29-30,32-33H,3-21,2
3,25-28H2,1-2H3,(H,35,36)/b24-22-/t29-,30+/m0/s1
SMILES[C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)