In-Silico Structure Database (LMISSD)
Common Name
TG(17:1(9Z)/37:0/20:5(5Z,8Z,11Z,14Z,17Z))
Systematic Name
1-(9Z-heptadecenoyl)-2-heptatriacontanoyl-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol
LM ID
LMGL0301A68G
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1159.049340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
VNZIJNBSYNKCJQ-ZYHBPVFZSA-N
InChi (Click to copy)
InChI=1S/C77H138O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46-48-50-53-56-59-62-65-68-71-77(80)83-74(72-81-75(78)69-66-63-60-57-54-51-27-24-21-18-15-12-9-6-3)73-82-76(79)70-67-64-61-58-55-52-49-47-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,24,26-27,29,49,52,58,61,74H,4-7,9-10,12-16,18-19,21-23,25,28,30-48,50-51,53-57,59-60,62-73H2,1-3H3/b11-8-,20-17-,27-24-,29-26-,52-49-,61-58-/t74-/m1/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O