In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20069AA2
Common NamePG(10:0/20:4(5Z,8Z,10E,14Z)(12OH[S]))
Systematic Name1-decanoyl-2-(12S-HETE)-sn-glycero-3-phospho-(1'-sn-glycerol)
SynonymsPG(30:4(OH)); PG(10:0/20:4(OH))
Exact Mass
702.4108 (neutral)    Calculate m/z:
FormulaC36H63O11P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphoglycerols [GP2006]
PubChem Compound ID (CID)-
InChIKeyXJBDKAHVQLYHFE-HNXHGESDSA-N
InChIInChI=1S/C36H63O11P/c1-3-5-7-9-13-18-22-26-35(40)44-30-34(31-46-48(42,43)45-29-3
3(39)28-37)47-36(41)27-23-19-15-12-11-14-17-21-25-32(38)24-20-16-10-8-6-4-2/h12,
14-17,20-21,25,32-34,37-39H,3-11,13,18-19,22-24,26-31H2,1-2H3,(H,42,43)/b15-12-,
17-14-,20-16-,25-21+/t32-,33-,34+/m0/s1
SMILES[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C=C\[C@@H](O)C/C=C\CCCCC)=O)COC(C
CCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)