In-Silico Structure Database (LMISSD)

Common Name
TG(17:2(9Z,12Z)/11:0/29:0)
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-undecanoyl-3-nonacosanoyl-sn-glycerol
LM ID
LMGL0301A7IA
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)
CKDCKTPQIGFPJU-GOKOIZMBSA-N
InChi (Click to copy)
InChI=1S/C60H112O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-45-47-50-53-59(62)65-56-57(66-60(63)54-51-48-43-18-15-12-9-6-3)55-64-58(61)52-49-46-44-41-39-37-24-22-20-17-14-11-8-5-2/h14,17,22,24,57H,4-13,15-16,18-21,23,25-56H2,1-3H3/b17-14-,24-22-/t57-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O

References

Other Databases