In-Silico Structure Database (LMISSD)
Common Name
TG(18:1(17Z)/22:4(7Z,10Z,13Z,16Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(13Z-octadecenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301B1IY
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)
JPALYGNCWTVKNK-ASILTDCISA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h6,11,14,16,19-20,23,25,28-29,31-33,38-39,41-42,60H,3-5,7-10,12-13,15,17-18,21-22,24,26-27,30,34-37,40,43-59H2,1-2H3/b14-11+,19-16-,23-20+,28-25-,32-29+,33-31-,41-38+,42-39-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCC=C)=O