In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04019AA1
Common NamePG(10:0/18:2(9E,12E))
Systematic Name1-decanoyl-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(28:2); PG(10:0_18:2)
Exact Mass
662.4159 (neutral)    Calculate m/z:
FormulaC34H63O10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassDiacylglycerophosphoglycerols [GP0401]
PubChem Compound ID (CID)-
InChIKeyTYPBNWNBUJLADL-WJYOGPCXSA-N
InChIInChI=1S/C34H63O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-34(38)44-32(3
0-43-45(39,40)42-28-31(36)27-35)29-41-33(37)25-23-21-19-10-8-6-4-2/h11-12,14-15,
31-32,35-36H,3-10,13,16-30H2,1-2H3,(H,39,40)/b12-11+,15-14+/t31-,32+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COC(CCCCCCCCC)=O)(=O
)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)