In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5Z,8Z,10E,14Z)/20:4(7E,10E,13E,16E)/20:1(13E))
Systematic Name
1-(5Z,8Z,10E,14Z-eicosatetraenoyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-3-(13E-eicosenoyl)-sn-glycerol
LM ID
LMGL0301F0NK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.783290
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
CZKDOXZQGMQVJR-VKXNOTLPSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h12,15-16,19-21,23-24,28,30-31,33-34,37,39,42-43,46,60H,4-11,13-14,17-18,22,25-27,29,32,35-36,38,40-41,44-45,47-59H2,1-3H3/b15-12+,19-16-,23-20+,24-21+,31-28+,33-30+,37-34-,42-39+,46-43-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C/CCCCCC)[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O