In-Silico Structure Database (LMISSD)
Common Name
TG(22:4(7Z,10Z,13Z,16Z)/18:1(9E)/20:4(5E,8E,11E,14E))
Systematic Name
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(9E-octadecenoyl)-3-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301HF23
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
956.783290
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
MDNOGAANWQBLFP-WKRYPTJASA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-29,31,33-35,37-38,41,43,46,60H,4-15,18,21-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b19-16-,20-17+,28-25-,29-26+,33-31-,34-27+,37-35+,41-38-,46-43+/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O