In-Silico Structure Database (LMISSD)
Common Name
TG(22:6(4Z,7Z,10Z,12E,16Z,19Z)/18:1(7Z)/20:2(5Z,8Z))
Systematic Name
1-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-2-(7Z-octadecenoyl)-3-(5Z,8Z-eicosadienoyl)-sn-glycerol
LM ID
LMGL0301HVYS
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)
XNQJDCMTWZHJOA-FSWBPJAKSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,28,30-31,33,35,37-39,41-43,46-47,50,60H,4-6,8-9,11-15,17-18,20-27,29,32,34,36,40,44-45,48-49,51-59H2,1-3H3/b10-7-,19-16-,30-28+,33-31-,37-35-,41-38-,42-39-,46-43-,50-47-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\CCCCCCCCCCC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCCCC)=O)COC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O