In-Silico Structure Database (LMISSD)
Common Name
TG(37:0/18:4(9E,11E,13E,15E)/32:0)
Systematic Name
1-heptatriacontanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-3-dotriacontanoyl-sn-glycerol
LM ID
LMGL0301K5PC
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)
XFPZDBBKLAOWGO-ZQJHADHJSA-N
InChi (Click to copy)
InChI=1S/C90H168O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-43-44-45-46-48-50-52-54-56-58-60-63-65-68-71-74-77-80-83-89(92)95-86-87(96-90(93)84-81-78-75-72-69-66-61-27-24-21-18-15-12-9-6-3)85-94-88(91)82-79-76-73-70-67-64-62-59-57-55-53-51-49-47-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,15,18,21,24,27,61,87H,4-8,10-11,13-14,16-17,19-20,22-23,25-26,28-60,62-86H2,1-3H3/b12-9+,18-15+,24-21+,61-27+/t87-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O