In-Silico Structure Database (LMISSD)
Common Name
PG(O-18:1(11Z)/20:1(11E))
Systematic Name
1-(11Z-octadecenyl)-2-(11E-eicosenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029AO4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
788.593123
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
GKYLOHRXASHCGV-DEMQRASUSA-N
InChi (Click to copy)
InChI=1S/C44H85O9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(47)53-43(41-52-54(48,49)51-39-42(46)38-45)40-50-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16-17,19,42-43,45-46H,3-13,15,18,20-41H2,1-2H3,(H,48,49)/b16-14-,19-17+/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\CCCCCC