In-Silico Structure Database (LMISSD)

Common Name
TG(34:0/20:4(5Z,8Z,11Z,14Z)/11:0)
Systematic Name
1-tetratriacontanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-undecanoyl-sn-glycerol
LM ID
LMGL0301KQLH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1036.939790
Formula
C68H124O6
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)
VXIBJYOVNSHRPI-JDGFFRSFSA-N
InChi (Click to copy)
InChI=1S/C68H124O6/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-43-45-47-49-52-55-58-61-67(70)73-64-65(63-72-66(69)60-57-54-51-18-15-12-9-6-3)74-68(71)62-59-56-53-50-48-46-44-41-26-24-22-20-17-14-11-8-5-2/h17,20,24,26,44,46,50,53,65H,4-16,18-19,21-23,25,27-43,45,47-49,51-52,54-64H2,1-3H3/b20-17-,26-24-,46-44-,53-50-/t65-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases