In-Silico Structure Database (LMISSD)

Common Name
TG(24:1(15Z)/37:0/31:0)
Systematic Name
1-(15Z-tetracosenoyl)-2-heptatriacontanoyl-3-hentriacontanoyl-sn-glycerol
LM ID
LMGL0301IK06
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1421.409290
Formula
C95H184O6
Predict MS/MS spectrum ([M+NH4]+)
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MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]

String Representations

InChiKey (Click to copy)
ZTVZSSQALJOESW-SHJNYENMSA-N
InChi (Click to copy)
InChI=1S/C95H184O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-39-41-43-45-46-47-48-49-50-52-54-56-59-62-65-68-71-74-77-80-83-86-89-95(98)101-92(90-99-93(96)87-84-81-78-75-72-69-66-63-60-57-36-33-30-27-24-21-18-15-12-9-6-3)91-100-94(97)88-85-82-79-76-73-70-67-64-61-58-55-53-51-44-42-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,92H,4-26,28-29,31-91H2,1-3H3/b30-27-/t92-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O

References

Other Databases