In-Silico Structure Database (LMISSD)
Common Name
TG(22:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)/28:0)
Systematic Name
1-docosanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-3-octacosanoyl-sn-glycerol
LM ID
LMGL0301G2GR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1131.018040
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
OHIQLNOJCWRZTI-YRMHAMKXSA-N
InChi (Click to copy)
InChI=1S/C75H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-38-39-42-44-47-50-53-56-59-62-65-68-74(77)80-71-72(81-75(78)69-66-63-60-57-54-51-48-45-41-33-30-27-24-21-18-15-12-9-6-3)70-79-73(76)67-64-61-58-55-52-49-46-43-40-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,30,33,41,45,51,54,60,63,72H,4-8,10-11,13-17,19-20,22-29,31-32,34-40,42-44,46-50,52-53,55-59,61-62,64-71H2,1-3H3/b12-9-,21-18-,33-30+,45-41-,54-51-,63-60-/t72-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCC)=O