In-Silico Structure Database (LMISSD)
Common Name
TG(18:1(17Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:3(5Z,8Z,11Z))
Systematic Name
1-(13Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycerol
LM ID
LMGL0301B1K2
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)
JYUSSLFRXYAIEU-VRGFYVQCSA-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/h6,16,19,25-26,28-29,31,33,35,38-39,42,44,47-48,51,60H,3-5,7-15,17-18,20-24,27,30,32,34,36-37,40-41,43,45-46,49-50,52-59H2,1-2H3/b19-16-,28-25-,29-26-,33-31-,38-35-,42-39-,47-44-,51-48-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCC=C)=O