In-Silico Structure Database (LMISSD)
Common Name
TG(20:1(13E)/34:0/32:0)
Systematic Name
1-(13E-eicosenoyl)-2-tetratriacontanoyl-3-dotriacontanoyl-sn-glycerol
LM ID
LMGL0301E09M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1337.315390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
NUAHYEHRCQAXCC-JMZCRMLISA-N
InChi (Click to copy)
InChI=1S/C89H172O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-44-46-48-50-52-54-56-59-62-65-68-71-74-77-80-83-89(92)95-86(84-93-87(90)81-78-75-72-69-66-63-60-57-30-27-24-21-18-15-12-9-6-3)85-94-88(91)82-79-76-73-70-67-64-61-58-55-53-51-49-47-45-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h21,24,86H,4-20,22-23,25-85H2,1-3H3/b24-21+/t86-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCC/C=C/CCCCCC)=O