In-Silico Structure Database (LMISSD)
Common Name
PGP(P-20:1(9Z)/18:3(6Z,9Z,12Z))
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039ATK
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-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
JJBPPLGORHHQSN-QBEZBXTQSA-N
InChi (Click to copy)
InChI=1S/C44H80O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-52-40-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)56-44(46)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,20-22,26,28,35,37,42-43,45H,3-11,13,15-17,19,23-25,27,29-34,36,38-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b14-12-,21-20-,22-18-,28-26-,37-35-/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCC