In-Silico Structure Database (LMISSD)
Common Name
TG(20:3(5Z,8Z,11Z)/11:0/18:3(9Z,12Z,15Z))
Systematic Name
1-(5Z,8Z,11Z-eicosatrienoyl)-2-undecanoyl-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
LM ID
LMGL0301FHMM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
808.658090
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
GCHZJGUWCPGCJP-VBQBZAEBSA-N
InChi (Click to copy)
InChI=1S/C52H88O6/c1-4-7-10-13-16-19-21-23-25-26-28-30-32-34-37-39-42-45-51(54)57-48-49(58-52(55)46-43-40-35-18-15-12-9-6-3)47-56-50(53)44-41-38-36-33-31-29-27-24-22-20-17-14-11-8-5-2/h8,11,17,20,23-25,27-28,30,34,37,49H,4-7,9-10,12-16,18-19,21-22,26,29,31-33,35-36,38-48H2,1-3H3/b11-8-,20-17-,25-23-,27-24-,30-28-,37-34-/t49-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O