In-Silico Structure Database (LMISSD)
Common Name
TG(17:0/10:0/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-heptadecanoyl-2-decanoyl-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
LM ID
LMGL0301AWSS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
812.689390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KBFDRYVRJVNQGK-XRIFACHLSA-N
InChi (Click to copy)
InChI=1S/C52H92O6/c1-4-7-10-13-16-18-20-22-24-25-26-27-28-30-32-34-37-39-42-45-51(54)57-48-49(58-52(55)46-43-40-35-15-12-9-6-3)47-56-50(53)44-41-38-36-33-31-29-23-21-19-17-14-11-8-5-2/h16,18,22,24,26-27,30,32,49H,4-15,17,19-21,23,25,28-29,31,33-48H2,1-3H3/b18-16-,24-22-,27-26-,32-30-/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCC)=O