In-Silico Structure Database (LMISSD)
Common Name
TG(O-20:0/29:0/20:0)
Systematic Name
1-eicosyl-2-nonacosanoyl-3-eicosanoyl-sn-glycerol
LM ID
LMGL0302AGWK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1087.085725
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Alkyldiacylglycerols [GL0302]
String Representations
InChiKey (Click to copy)
BTMIFIIOKCVNKG-KCKLJLPWSA-N
InChi (Click to copy)
InChI=1S/C72H142O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-35-36-37-38-39-40-42-45-48-51-54-57-60-63-66-72(74)77-70(68-75-67-64-61-58-55-52-49-46-43-32-29-26-23-20-17-14-11-8-5-2)69-76-71(73)65-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3/h70H,4-69H2,1-3H3/t70-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCC