In-Silico Structure Database (LMISSD)
Common Name
TG(37:0/18:1(13Z)/31:0)
Systematic Name
1-heptatriacontanoyl-2-(13Z-octadecenoyl)-3-hentriacontanoyl-sn-glycerol
LM ID
LMGL0301K4OF
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)
PAZUPIGCCKBTRN-CDUORTPBSA-N
InChi (Click to copy)
InChI=1S/C89H172O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-43-44-45-46-47-49-51-53-55-57-59-62-64-67-70-73-76-79-82-88(91)94-85-86(95-89(92)83-80-77-74-71-68-65-60-27-24-21-18-15-12-9-6-3)84-93-87(90)81-78-75-72-69-66-63-61-58-56-54-52-50-48-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h15,18,86H,4-14,16-17,19-85H2,1-3H3/b18-15-/t86-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O