In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04019ABN
Common NamePG(10:0/20:4(7E,10E,13E,16E))
Systematic Name1-decanoyl-2-(7E,10E,13E,16E-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)-
InChIKeyUMKYOKCAAAIEIB-KTIHDUPRSA-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/h7,9,12
-13,15-16,18-19,33-34,37-38H,3-6,8,10-11,14,17,20-32H2,1-2H3,(H,41,42)/b9-7+,13-
12+,16-15+,19-18+/t33-,34+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCCCCCCC
C)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)