In-Silico Structure Database (LMISSD)
Common Name
PGP(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-hexadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AGJ
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)
NMIVZDVMXLFMGH-PDMOIVGFSA-N
InChi (Click to copy)
InChI=1S/C44H78O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-44(46)56-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)40-52-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,42-43,45H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/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)COCCCCCCCCCCCCCCCC