In-Silico Structure Database (LMISSD)
Common Name
PG(P-18:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(1Z-octadecenyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039AIY
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-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
YOKBWEBLBHAWRR-XPRTZWAMSA-N
InChi (Click to copy)
InChI=1S/C48H87O9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-48(51)57-47(45-56-58(52,53)55-43-46(50)42-49)44-54-41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h19,21,23-24,26,28,32,34,39,41,46-47,49-50H,3-18,20,22,25,27,29-31,33,35-38,40,42-45H2,1-2H3,(H,52,53)/b21-19-,24-23-,28-26-,34-32-,41-39-/t46-,47+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCCCCCCCCCC