In-Silico Structure Database (LMISSD)
Common Name
PG(O-22:1(9Z)/18:2(9Z,11Z))
Systematic Name
1-(9Z-docosenyl)-2-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029A9N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
814.608773
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
ZVYZETCWVOIDSF-SSYDVWOBSA-N
InChi (Click to copy)
InChI=1S/C46H87O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-52-42-45(43-54-56(50,51)53-41-44(48)40-47)55-46(49)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h14,16,18,22-24,44-45,47-48H,3-13,15,17,19-21,25-43H2,1-2H3,(H,50,51)/b16-14-,23-22-,24-18-/t44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCC/C=C\CCCCCCCCCCCC