In-Silico Structure Database (LMISSD)
Common Name
PG(O-22:1(11Z)/20:4(5E,8E,11E,14E))
Systematic Name
1-(11Z-docosenyl)-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029A7S
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
838.608773
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
JUKCNGFLAWICOX-WNPJUDFRSA-N
InChi (Click to copy)
InChI=1S/C48H87O9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-54-44-47(45-56-58(52,53)55-43-46(50)42-49)57-48(51)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-22,26,28,32,34,46-47,49-50H,3-11,13,15-17,19,23-25,27,29-31,33,35-45H2,1-2H3,(H,52,53)/b14-12+,20-18+,22-21-,28-26+,34-32+/t46-,47+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\CCCCCCCCCC