In-Silico Structure Database (LMISSD)
Common Name
TG(18:4(6Z,9Z,12Z,15Z)/38:0/29:0)
Systematic Name
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-octatriacontanoyl-3-nonacosanoyl-sn-glycerol
LM ID
LMGL0301D5ML
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1317.252790
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
AHMIOUJAAGLNEB-YWLVKDMCSA-N
InChi (Click to copy)
InChI=1S/C88H164O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-41-42-43-44-45-46-47-48-50-52-54-56-58-61-64-67-70-73-76-79-82-88(91)94-85(83-92-86(89)80-77-74-71-68-65-62-59-27-24-21-18-15-12-9-6-3)84-93-87(90)81-78-75-72-69-66-63-60-57-55-53-51-49-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,59,65,68,85H,4-8,10-11,13-17,19-20,22-26,28-58,60-64,66-67,69-84H2,1-3H3/b12-9-,21-18-,59-27-,68-65-/t85-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O