In-Silico Structure Database (LMISSD)
Common Name
PG(O-22:1(11Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(11Z-docosenyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029A8B
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
894.671373
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
WNDQZWPRVABZKP-CEVJCISUSA-N
InChi (Click to copy)
InChI=1S/C52H95O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-52(55)61-51(49-60-62(56,57)59-47-50(54)46-53)48-58-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h19,21-22,24-26,30,32,36,38,50-51,53-54H,3-18,20,23,27-29,31,33-35,37,39-49H2,1-2H3,(H,56,57)/b21-19-,24-22-,26-25-,32-30-,38-36-/t50-,51+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\CCCCCCCCCC