In-Silico Structure Database (LMISSD)
Common Name
TG(12:0/27:0/20:2(5Z,8Z))
Systematic Name
1-dodecanoyl-2-heptacosanoyl-3-(5Z,8Z-eicosadienoyl)-sn-glycerol
LM ID
LMGL03019PFJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.877190
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
CSUBUBOKNQTVOJ-NYSONXGQSA-N
InChi (Click to copy)
InChI=1S/C62H116O6/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-33-35-37-39-41-44-47-50-53-56-62(65)68-59(57-66-60(63)54-51-48-45-42-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-36-34-26-24-22-20-17-14-11-8-5-2/h36,38,43,46,59H,4-35,37,39-42,44-45,47-58H2,1-3H3/b38-36-,46-43-/t59-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\C/C=C\CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O