In-Silico Structure Database (LMISSD)
Common Name
TG(20:2(5Z,8Z)/20:2(5Z,8Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1,2-di-(5Z,8Z-eicosadienoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL0301FEV0
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)
IVFKTAOCLORRJO-HSEWQRGYSA-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/h7,10,16,19,25,28,34-39,43-48,60H,4-6,8-9,11-15,17-18,20-24,26-27,29-33,40-42,49-59H2,1-3H3/b10-7-,19-16-,28-25-,37-34-,38-35-,39-36-,46-43-,47-44-,48-45-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O