In-Silico Structure Database (LMISSD)
Common Name
TG(22:4(7Z,10Z,13Z,16Z)/18:1(9E)/20:4(7E,10E,13E,16E))
Systematic Name
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(9E-octadecenoyl)-3-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301HF28
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)
VDGHRUHQTOWUIE-ITCNNICCSA-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/h11,14,16,19-20,23,25,27-29,31-34,37-38,40-41,60H,4-10,12-13,15,17-18,21-22,24,26,30,35-36,39,42-59H2,1-3H3/b14-11+,19-16-,23-20+,28-25-,32-29+,33-31-,34-27+,40-37+,41-38-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)[C@]([H])(OC(CCCCCCC/C=C/CCCCCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O