In-Silico Structure Database (LMISSD)
Common Name
TG(36:0/18:4(9E,11E,13E,15E)/38:0)
Systematic Name
1-hexatriacontanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-octatriacontanoyl-sn-glycerol
LM ID
LMGL0301K0D5
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)
FQVHUTISEBUIKV-RZWDMOOVSA-N
InChi (Click to copy)
InChI=1S/C95H178O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-47-49-51-53-55-57-59-61-63-65-68-70-73-76-79-82-85-88-94(97)100-91-92(101-95(98)89-86-83-80-77-74-71-66-27-24-21-18-15-12-9-6-3)90-99-93(96)87-84-81-78-75-72-69-67-64-62-60-58-56-54-52-50-48-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,15,18,21,24,27,66,92H,4-8,10-11,13-14,16-17,19-20,22-23,25-26,28-65,67-91H2,1-3H3/b12-9+,18-15+,24-21+,66-27+/t92-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O