In-Silico Structure Database (LMISSD)

Common Name
TG(16:1(9Z)/23:0/18:2(9Z,12Z))
Systematic Name
1-(9Z-hexadecenoyl)-2-tricosanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301AVA1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
926.830240
Formula
C60H110O6
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)
LWIAYBNHGDTNOD-YHRSNEKYSA-N
InChi (Click to copy)
InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-33-36-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-37-34-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17,20-21,24,26,32,57H,4-16,18-19,22-23,25,27-31,33-56H2,1-3H3/b20-17-,24-21-,32-26-/t57-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O

References

Other Databases