In-Silico Structure Database (LMISSD)
Common Name
TG(10:0/13:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-decanoyl-2-tridecanoyl-3-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycerol
LM ID
LMGL03019AIT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
752.595490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
IINBVAHHBMPMFI-SQBRAMBXSA-N
InChi (Click to copy)
InChI=1S/C48H80O6/c1-4-7-10-13-16-18-20-21-22-23-24-25-26-27-28-30-32-35-38-41-47(50)53-44-45(43-52-46(49)40-37-34-31-15-12-9-6-3)54-48(51)42-39-36-33-29-19-17-14-11-8-5-2/h7,10,16,18,22-25,27-28,32,35,45H,4-6,8-9,11-15,17,19-21,26,29-31,33-34,36-44H2,1-3H3/b10-7-,18-16-,23-22+,25-24-,28-27-,35-32-/t45-/m1/s1
SMILES (Click to copy)
C(OC(=O)CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O