In-Silico Structure Database (LMISSD)
Common Name
PG(O-22:1(11Z)/29:0)
Systematic Name
1-(11Z-docosenyl)-2-nonacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029A8K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
972.812223
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
CXKSTXGGXGLEJY-NBCKEKBUSA-N
InChi (Click to copy)
InChI=1S/C57H113O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-57(60)66-56(54-65-67(61,62)64-52-55(59)51-58)53-63-50-48-46-44-42-40-38-36-34-32-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,55-56,58-59H,3-21,23,25-54H2,1-2H3,(H,61,62)/b24-22-/t55-,56+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\CCCCCCCCCC