In-Silico Structure Database (LMISSD)
Common Name
PG(P-16:1(11Z)/21:0)
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-heneicosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039AD0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
774.577473
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
XNZYUPKUQDAFDN-LVRCKNOQSA-N
InChi (Click to copy)
InChI=1S/C43H83O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-43(46)52-42(40-51-53(47,48)50-38-41(45)37-44)39-49-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h10,12,34,36,41-42,44-45H,3-9,11,13-33,35,37-40H2,1-2H3,(H,47,48)/b12-10-,36-34-/t41-,42+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCC