In-Silico Structure Database (LMISSD)
Common Name
PGP(20:4(7E,10E,13E,16E)/18:2(9E,12E))
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019DF0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
874.476121
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
JDQSBHPPWHMEKT-AIBGFYDZSA-N
InChi (Click to copy)
InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-43(46)53-39-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)57-44(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h7,9,12-15,18-21,23,25,41-42,45H,3-6,8,10-11,16-17,22,24,26-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b9-7+,14-12+,15-13+,20-19+,21-18+,25-23+/t41-,42+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(=O)O