In-Silico Structure Database (LMISSD)

Common Name
TG(24:1(15Z)/16:1(7Z)/20:1(13Z))
Systematic Name
1-(15Z-tetracosenoyl)-2-(7Z-hexadecenoyl)-3-(13Z-eicosenoyl)-sn-glycerol
LM ID
LMGL0301IGGI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
968.877190
Formula
C63H116O6
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)
RHALYUKAPVZZTO-MVWTZBRRSA-N
InChi (Click to copy)
InChI=1S/C63H116O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-39-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-38-35-33-28-26-23-20-17-14-11-8-5-2/h20,23,25,27,37,42,60H,4-19,21-22,24,26,28-36,38-41,43-59H2,1-3H3/b23-20-,27-25-,42-37-/t60-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\CCCCCC)[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O

References

Other Databases