In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20069AAN
Common NamePG(10:0/18:2(8E,12Z)(10OH[S]))
Systematic Name1-decanoyl-2-(10S-HODE)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(28:2(OH)); PG(10:0/18:2(OH))
Exact Mass
678.4108 (neutral)    Calculate m/z:
FormulaC34H63O11P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoglycerols [GP2006]
PubChem Compound ID (CID)-
InChIKeyNQIFNCVKLBOCNN-CDPAWTEPSA-N
InChIInChI=1S/C34H63O11P/c1-3-5-7-9-11-16-20-24-33(38)42-28-32(29-44-46(40,41)43-27-3
1(37)26-35)45-34(39)25-21-17-13-12-15-19-23-30(36)22-18-14-10-8-6-4-2/h14,18-19,
23,30-32,35-37H,3-13,15-17,20-22,24-29H2,1-2H3,(H,40,41)/b18-14-,23-19+/t30-,31-
,32+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCC/C=C/[C@@H](O)C/C=C\CCCCC)=O)COC(CCCCCCCC
C)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)