In-Silico Structure Database (LMISSD)
Common Name
PG(P-22:1(9Z)/38:0)
Systematic Name
1-(1Z,9Z-docosenyl)-2-octatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039A1W
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1096.937423
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
VVTKHCOQVXGUOL-RAJNLHITSA-N
InChi (Click to copy)
InChI=1S/C66H129O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-56-58-66(69)75-65(63-74-76(70,71)73-61-64(68)60-67)62-72-59-57-55-53-51-49-47-45-43-41-24-22-20-18-16-14-12-10-8-6-4-2/h41,43,57,59,64-65,67-68H,3-40,42,44-56,58,60-63H2,1-2H3,(H,70,71)/b43-41-,59-57-/t64-,65+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC