In-Silico Structure Database (LMISSD)
Common Name
PGP(P-20:1(9Z)/18:2(9E,12E))
Systematic Name
1-(1Z,9Z-eicosadienyl)-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039ATH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
864.528156
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
GFBLIVULDIQUDD-NINWLRFASA-N
InChi (Click to copy)
InChI=1S/C44H82O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-52-40-43(41-55-58(50,51)54-39-42(45)38-53-57(47,48)49)56-44(46)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,20-22,35,37,42-43,45H,3-11,13,15-17,19,23-34,36,38-41H2,1-2H3,(H,50,51)(H2,47,48,49)/b14-12+,21-20-,22-18+,37-35-/t42-,43+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCC