In-Silico Structure Database (LMISSD)
Common Name
PGP(O-20:1(11Z)/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-(11Z-eicosenyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AWK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
918.575106
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
OYUXEEWOCQCBPW-CJJDGORTSA-N
InChi (Click to copy)
InChI=1S/C48H88O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-48(50)60-47(45-59-62(54,55)58-43-46(49)42-57-61(51,52)53)44-56-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23-24,28,30,46-47,49H,3-10,12,14-16,21-22,25-27,29,31-45H2,1-2H3,(H,54,55)(H2,51,52,53)/b13-11-,19-17-,20-18-,24-23-,30-28-/t46-,47+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCC/C=C\CCCCCCCC