In-Silico Structure Database (LMISSD)
Common Name
PGP(O-22:1(9Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(9Z-docosenyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029BAH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
942.575106
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
AKKXOCGADNZDHM-IZSGKYQFSA-N
InChi (Click to copy)
InChI=1S/C50H88O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-58-46-49(47-61-64(56,57)60-45-48(51)44-59-63(53,54)55)62-50(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,20,22,24-27,30,32,36,38,48-49,51H,3-5,7,9-11,13,15-19,21,23,28-29,31,33-35,37,39-47H2,1-2H3,(H,56,57)(H2,53,54,55)/b8-6-,14-12-,22-20+,26-24-,27-25-,32-30-,38-36-/t48-,49+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC