In-Silico Structure Database (LMISSD)
Common Name
TG(18:4(9E,11E,13E,15E)/18:4(6Z,9Z,12Z,15Z)/18:0)
Systematic Name
1-(9E,11E,13E,15E-octadecatetraenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-octadecanoyl-sn-glycerol
LM ID
LMGL0301D7RD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
874.705040
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
KTPPFJGWLCRBLX-SRWNKMPHSA-N
InChi (Click to copy)
InChI=1S/C57H94O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12-13,16,18-19,21-22,25,27-28,30,36,39,54H,4-6,8,11,14-15,17,20,23-24,26,29,31-35,37-38,40-53H2,1-3H3/b10-7+,12-9-,16-13+,21-18-,22-19+,28-25+,30-27-,39-36-/t54-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O