In-Silico Structure Database (LMISSD)
Common Name
TG(22:4(7Z,10Z,13Z,16Z)/20:4(5Z,8Z,10E,14Z)/18:1(13Z))
Systematic Name
1-(7Z,10Z,13Z,16Z-docosatetraenoyl)-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-3-(13Z-octadecenoyl)-sn-glycerol
LM ID
LMGL0301HHJD
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)
RGFSAMXABYNQHY-IEWGOGFMSA-N
InChi (Click to copy)
InChI=1S/C63H104O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h15-20,25,28-29,31-33,36,38-39,41,45,48,60H,4-14,21-24,26-27,30,34-35,37,40,42-44,46-47,49-59H2,1-3H3/b18-15-,19-16-,20-17-,28-25-,32-29+,33-31-,39-36-,41-38-,48-45-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\CCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O