In-Silico Structure Database (LMISSD)
Common Name
TG(37:0/20:4(5Z,8Z,11Z,14Z)/35:0)
Systematic Name
1-heptatriacontanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-pentatriacontanoyl-sn-glycerol
LM ID
LMGL0301K6LP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1415.362340
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
RODYEXYREJPUHF-YDKSELJYSA-N
InChi (Click to copy)
InChI=1S/C95H178O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-47-48-50-52-54-56-58-60-62-65-67-70-73-76-79-82-85-88-94(97)100-91-92(101-95(98)89-86-83-80-77-74-71-68-63-30-27-24-21-18-15-12-9-6-3)90-99-93(96)87-84-81-78-75-72-69-66-64-61-59-57-55-53-51-49-46-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,68,71,77,80,92H,4-17,19-20,22-26,28-29,31-67,69-70,72-76,78-79,81-91H2,1-3H3/b21-18-,30-27-,71-68-,80-77-/t92-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O