In-Silico Structure Database (LMISSD)
Common Name
PG(O-22:1(11Z)/26:2(5E,9Z))
Systematic Name
1-(11Z-docosenyl)-2-(5Z,9E-hexacosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029A8F
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
926.733973
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
DQCNSSFIVCTOGK-ROPOHRMZSA-N
InChi (Click to copy)
InChI=1S/C54H103O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-38-40-42-44-46-54(57)63-53(51-62-64(58,59)61-49-52(56)48-55)50-60-47-45-43-41-39-37-35-33-31-29-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,30,32,38,40,52-53,55-56H,3-21,23,25-29,31,33-37,39,41-51H2,1-2H3,(H,58,59)/b24-22-,32-30-,40-38+/t52-,53+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\CCCCCCCCCC