In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04019AFF
Common NamePG(12:0/18:1(4E))
Systematic Name1-dodecanoyl-2-(4E-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(30:1); PG(12:0_18:1)
Exact Mass
692.4628 (neutral)    Calculate m/z:
FormulaC36H69O10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassDiacylglycerophosphoglycerols [GP0401]
PubChem Compound ID (CID)-
InChIKeyHDTVFFOSWLBKLP-KWKBUDPPSA-N
InChIInChI=1S/C36H69O10P/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-36(40)46-34(3
2-45-47(41,42)44-30-33(38)29-37)31-43-35(39)27-25-23-21-19-12-10-8-6-4-2/h22,24,
33-34,37-38H,3-21,23,25-32H2,1-2H3,(H,41,42)/b24-22+/t33-,34+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CC/C=C/CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O)(=O)
O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)