In-Silico Structure Database (LMISSD)
Common Name
TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(9Z-hexadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL0301AU2N
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
950.736340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
BNQUTQXQVGFJGL-YKFHNHBHSA-N
InChi (Click to copy)
InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7,10,16-17,19-21,24-28,31-34,38-39,41-42,47-48,50-51,60H,4-6,8-9,11-15,18,22-23,29-30,35-37,40,43-46,49,52-59H2,1-3H3/b10-7-,19-16-,20-17-,24-21-,27-25-,28-26-,33-31-,34-32-,41-38-,42-39-,50-47-,51-48-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O