In-Silico Structure Database (LMISSD)
Common Name
PG(P-20:1(9Z)/22:2(13Z,16Z))
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039AT8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
840.624423
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
KUPSRARZVZGBPH-UMBVIVKMSA-N
InChi (Click to copy)
InChI=1S/C48H89O9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-48(51)57-47(45-56-58(52,53)55-43-46(50)42-49)44-54-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,25,39,41,46-47,49-50H,3-10,12,14-16,18,20-21,23-24,26-38,40,42-45H2,1-2H3,(H,52,53)/b13-11-,19-17-,25-22-,41-39-/t46-,47+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCC/C=C\CCCCCCCCCC