In-Silico Structure Database (LMISSD)
Common Name
TG(27:0/18:2(9Z,11Z)/14:0)
Systematic Name
1-heptacosanoyl-2-(9Z,11Z-octadecadienoyl)-3-tetradecanoyl-sn-glycerol
LM ID
LMGL0301JN58
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)
MBIHSRKBLBMMIM-VEYBWQDYSA-N
InChi (Click to copy)
InChI=1S/C62H116O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-34-36-37-40-43-46-49-52-55-61(64)67-58-59(57-66-60(63)54-51-48-45-42-39-21-18-15-12-9-6-3)68-62(65)56-53-50-47-44-41-38-35-25-23-20-17-14-11-8-5-2/h20,23,25,35,59H,4-19,21-22,24,26-34,36-58H2,1-3H3/b23-20-,35-25-/t59-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O