In-Silico Structure Database (LMISSD)
Common Name
TG(20:4(5Z,8Z,10E,14Z)/39:0/30:0)
Systematic Name
1-(5Z,8Z,10E,14Z-eicosatetraenoyl)-2-nonatriacontanoyl-3-triacontanoyl-sn-glycerol
LM ID
LMGL0301F2SM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1373.315390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
IRIPXGMNNIYBFO-KZEZKVQESA-N
InChi (Click to copy)
InChI=1S/C92H172O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-42-43-44-45-46-47-48-49-51-53-55-57-59-62-65-68-71-74-77-80-83-86-92(95)98-89(87-96-90(93)84-81-78-75-72-69-66-63-60-30-27-24-21-18-15-12-9-6-3)88-97-91(94)85-82-79-76-73-70-67-64-61-58-56-54-52-50-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,30,60,63,66,72,75,89H,4-17,19-20,22-29,31-59,61-62,64-65,67-71,73-74,76-88H2,1-3H3/b21-18-,60-30+,66-63-,75-72-/t89-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O