In-Silico Structure Database (LMISSD)
Common Name
PG(20:3(8Z,11Z,14Z)/4:0)
Systematic Name
1-(8Z,11Z,14Z-eicosatrienoyl)-2-butyryl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP20069CKV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
604.337638
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoglycerols [GP2006]
String Representations
InChiKey (Click to copy)
IVPICANAGUQHAH-QEAOGMEUSA-N
InChi (Click to copy)
InChI=1S/C30H53O10P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-29(33)37-25-28(40-30(34)21-4-2)26-39-41(35,36)38-24-27(32)23-31/h8-9,11-12,14-15,27-28,31-32H,3-7,10,13,16-26H2,1-2H3,(H,35,36)/b9-8-,12-11-,15-14-/t27-,28+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)O