In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04019ABK
Common NamePG(10:0/20:4(5Z,8Z,11Z,13E))
Systematic Name1-decanoyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-
glycerol)
SynonymsPG(30:4); PG(10:0_20:4)
Exact Mass
686.4159 (neutral)    Calculate m/z:
FormulaC36H63O10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassDiacylglycerophosphoglycerols [GP0401]
PubChem Compound ID (CID)-
InChIKeySQLVRDUXTVPEMD-MVOZGHKMSA-N
InChIInChI=1S/C36H63O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-36(40)4
6-34(32-45-47(41,42)44-30-33(38)29-37)31-43-35(39)27-25-23-21-10-8-6-4-2/h12-15,
17-18,20,22,33-34,37-38H,3-11,16,19,21,23-32H2,1-2H3,(H,41,42)/b13-12+,15-14-,18
-17-,22-20-/t33-,34+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COC(CCCCCCCCC
)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)