In-Silico Structure Database (LMISSD)
Common Name
TG(17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/11:0)
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-undecanoyl-sn-glycerol
LM ID
LMGL0301BAED
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
794.642440
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
XVHVSYBJOLDXOY-MZWPIZHISA-N
InChi (Click to copy)
InChI=1S/C51H86O6/c1-4-7-10-13-16-19-21-23-25-26-27-29-31-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-28-24-22-20-17-14-11-8-5-2/h14,16-17,19,22-25,27,29,33,36,48H,4-13,15,18,20-21,26,28,30-32,34-35,37-47H2,1-3H3/b17-14-,19-16-,24-22-,25-23-,29-27-,36-33-/t48-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O