In-Silico Structure Database (LMISSD)
Common Name
PG(10:0/20:4(5Z,8Z,10E,14Z)(12Ke))
Systematic Name
1-decanoyl-2-(12-Oxo-ETE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069AA1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
700.395153
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
VBEXJEKNRDULSN-QTDNAIOZSA-N
InChi (Click to copy)
InChI=1S/C36H61O11P/c1-3-5-7-9-13-18-22-26-35(40)44-30-34(31-46-48(42,43)45-29-33(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/h12,14-17,20-21,25,33-34,37,39H,3-11,13,18-19,22-24,26-31H2,1-2H3,(H,42,43)/b15-12-,17-14-,20-16-,25-21+/t33-,34+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C=C\C(=O)C/C=C\CCCCC)=O)COC(CCCCCCCCC)=O)(=O)O