In-Silico Structure Database (LMISSD)
Common Name
TG(18:4(6Z,9Z,12Z,15Z)/36:0/33:0)
Systematic Name
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-hexatriacontanoyl-3-tritriacontanoyl-sn-glycerol
LM ID
LMGL0301D5H3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1345.284090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
FMDNHQAIRFKCDZ-MOZFTPAPSA-N
InChi (Click to copy)
InChI=1S/C90H168O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-45-46-48-50-52-54-56-58-60-63-66-69-72-75-78-81-84-90(93)96-87(85-94-88(91)82-79-76-73-70-67-64-61-27-24-21-18-15-12-9-6-3)86-95-89(92)83-80-77-74-71-68-65-62-59-57-55-53-51-49-47-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,61,67,70,87H,4-8,10-11,13-17,19-20,22-26,28-60,62-66,68-69,71-86H2,1-3H3/b12-9-,21-18-,61-27-,70-67-/t87-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O