In-Silico Structure Database (LMISSD)
Common Name
TG(26:2(5E,9Z)/20:4(6E,8Z,11Z,14Z)/39:0)
Systematic Name
1-(5Z,9E-hexacosadienoyl)-2-(6E,8Z,11Z,14Z-eicosatetraenoyl)-3-nonatriacontanoyl-sn-glycerol
LM ID
LMGL0301I9KF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1313.221490
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
AHDICCKJGCURBS-JNRUMXDWSA-N
InChi (Click to copy)
InChI=1S/C88H160O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-38-39-40-41-42-43-44-45-46-47-48-49-51-53-55-58-60-63-66-69-72-75-78-81-87(90)93-84-85(94-88(91)82-79-76-73-70-67-64-61-56-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-57-54-52-50-36-34-32-29-26-23-20-17-14-11-8-5-2/h18,21,27,30,57,59,61,64,67-68,70-71,85H,4-17,19-20,22-26,28-29,31-56,58,60,62-63,65-66,69,72-84H2,1-3H3/b21-18-,30-27-,59-57-,64-61-,70-67+,71-68+/t85-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O