In-Silico Structure Database (LMISSD)

Common Name
TG(26:2(5E,9Z)/19:0/12:0)
Systematic Name
1-(5Z,9E-hexacosadienoyl)-2-nonadecanoyl-3-dodecanoyl-sn-glycerol
LM ID
LMGL0301I8LX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
928.845890
Formula
C60H112O6
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)
SNQWVOCBRBFKSU-QHCMRSNDSA-N
InChi (Click to copy)
InChI=1S/C60H112O6/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-33-35-36-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-37-34-26-24-22-20-17-14-11-8-5-2/h33,35,41,44,57H,4-32,34,36-40,42-43,45-56H2,1-3H3/b35-33-,44-41+/t57-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)=O

References

Other Databases