In-Silico Structure Database (LMISSD)
Common Name
PGP(O-18:1(9Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(9Z-octadecenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029ARS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
862.512506
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
GUGQAVJXBALPIB-NWMBQRRSSA-N
InChi (Click to copy)
InChI=1S/C44H80O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(46)56-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)40-52-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h7,9,13,15,18-21,24,26,42-43,45H,3-6,8,10-12,14,16-17,22-23,25,27-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b9-7+,15-13+,20-18-,21-19+,26-24+/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCCCC