In-Silico Structure Database (LMISSD)

Common Name
TG(14:0/30:0/18:2(6Z,9Z))
Systematic Name
1-tetradecanoyl-2-triacontanoyl-3-(6Z,9Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL03019Z8Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
998.924140
Formula
C65H122O6
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)
ZWIMGTRCSJNDNS-KMKORLGDSA-N
InChi (Click to copy)
InChI=1S/C65H122O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-34-35-36-37-39-41-44-47-50-53-56-59-65(68)71-62(60-69-63(66)57-54-51-48-45-42-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-25-23-20-17-14-11-8-5-2/h25,38,43,46,62H,4-24,26-37,39-42,44-45,47-61H2,1-3H3/b38-25-,46-43-/t62-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCC)=O

References

Other Databases