In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20069AAY
Common NamePG(10:0/20:3(7E,10Z,14Z)(5Ep,9Ke){8,12})
Systematic Name1-decanoyl-2-(5,6-epoxycyclopentenone)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(30:3(Ep,Ke,ring)); PG(10:0/20:3(Ep,Ke,ring))
Exact Mass
714.3744 (neutral)    Calculate m/z:
FormulaC36H59O12P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoglycerols [GP2006]
PubChem Compound ID (CID)-
InChIKeyHGSMLROCEZJQAN-FGNIYCABSA-N
InChIInChI=1S/C36H59O12P/c1-3-5-7-9-11-13-15-19-35(40)44-26-30(27-46-49(42,43)45-25-2
9(38)24-37)47-36(41)20-16-18-33-34(48-33)23-31-28(21-22-32(31)39)17-14-12-10-8-6
-4-2/h12,14,21-23,28-30,33-34,37-38H,3-11,13,15-20,24-27H2,1-2H3,(H,42,43)/b14-1
2-,31-23+/t28?,29-,30+,33?,34?/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCC1OC1/C=C1/C(=O)C=CC/1C/C=C\CCCCC)=O)COC(CCC
CCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)