In-Silico Structure Database (LMISSD)
Common Name
PGP(O-18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-(9Z-octadecenyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029ART
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
860.496856
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
PXVGZYMPKDELIE-UMDZBGMCSA-N
InChi (Click to copy)
InChI=1S/C44H78O12P2/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/h5,7,11,13,17-20,22,24,28,30,42-43,45H,3-4,6,8-10,12,14-16,21,23,25-27,29,31-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b7-5-,13-11-,19-17-,20-18-,24-22-,30-28-/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCCCC