In-Silico Structure Database (LMISSD)
Common Name
PG(14:0/13:2(9E,11E)(13Ke))
Systematic Name
1-tetradecanoyl-2-(13-oxo-9E,11E-tridecedienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069AH0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
662.379503
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
JPHCOLPPQKWRJQ-YCRIKNLZSA-N
InChi (Click to copy)
InChI=1S/C33H59O11P/c1-2-3-4-5-6-7-8-11-14-17-20-23-32(37)41-28-31(29-43-45(39,40)42-27-30(36)26-35)44-33(38)24-21-18-15-12-9-10-13-16-19-22-25-34/h13,16,19,22,25,30-31,35-36H,2-12,14-15,17-18,20-21,23-24,26-29H2,1H3,(H,39,40)/b16-13+,22-19+/t30-,31+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C=C/C=O)=O)COC(CCCCCCCCCCCCC)=O)(=O)O