In-Silico Structure Database (LMISSD)
Common Name
PGP(O-18:1(11Z)/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-(11Z-octadecenyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029APG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
862.512506
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
WWBLWPKVTQRGKZ-BFMVJFBDSA-N
InChi (Click to copy)
InChI=1S/C44H80O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(46)56-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)40-52-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,26,28,42-43,45H,3-10,12,15,18,20-21,23,25,27,29-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b13-11-,16-14-,19-17-,24-22-,28-26+/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCC/C=C\CCCCCC