In-Silico Structure Database (LMISSD)
Common Name
PG(14:0/20:4(5Z,8Z,12E,14Z)(11OH[S]))
Systematic Name
1-tetradecanoyl-2-(11S-HETE)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069AIQ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
758.473403
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
OARVBJSCJDGLSB-PGIBFKBFSA-N
InChi (Click to copy)
InChI=1S/C40H71O11P/c1-3-5-7-9-11-12-13-14-18-22-26-30-39(44)48-34-38(35-50-52(46,47)49-33-37(43)32-41)51-40(45)31-27-23-19-15-17-21-25-29-36(42)28-24-20-16-10-8-6-4-2/h15-16,19-21,24-25,28,36-38,41-43H,3-14,17-18,22-23,26-27,29-35H2,1-2H3,(H,46,47)/b19-15-,20-16-,25-21-,28-24+/t36-,37+,38-/m1/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCC)=O)(=O)O