In-Silico Structure Database (LMISSD)
Common Name
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,10E,14Z)/20:0)
Systematic Name
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-3-eicosanoyl-sn-glycerol
LM ID
LMGL0301GQY2
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)
MNHYUUVGQORXFZ-IBCIHBCKSA-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/h7,10,16,18-19,21,25,28,30,33-34,36-37,39,43,45-46,48,60H,4-6,8-9,11-15,17,20,22-24,26-27,29,31-32,35,38,40-42,44,47,49-59H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,33-30+,37-34-,39-36-,46-43-,48-45-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O