In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04019CPW
Common NamePG(20:1(13E)/10:0)
Systematic Name1-(13E-eicosenoyl)-2-decanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(30:1); PG(10:0_20:1)
Exact Mass
692.4628 (neutral)    Calculate m/z:
FormulaC36H69O10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassDiacylglycerophosphoglycerols [GP0401]
PubChem Compound ID (CID)-
InChIKeyAXWAHBOOTXUXBG-FHZWYFRUSA-N
InChIInChI=1S/C36H69O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-23-25-27-35(39)4
3-31-34(32-45-47(41,42)44-30-33(38)29-37)46-36(40)28-26-24-21-10-8-6-4-2/h12-13,
33-34,37-38H,3-11,14-32H2,1-2H3,(H,41,42)/b13-12+/t33-,34+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCCCC/C=C/CCCCCC)=O)(=O)
O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)