In-Silico Structure Database (LMISSD)

Common Name
TG(O-16:0/24:4(5Z,8Z,11Z,14Z)/26:2(5E,9Z))
Systematic Name
1-hexadecyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL03029JOR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1032.944875
Formula
C69H124O5
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]
Alkyldiacylglycerols [GL0302]

String Representations

InChiKey (Click to copy)
IUTVSQOTNPJDCM-KSJFHPPCSA-N
InChi (Click to copy)
InChI=1S/C69H124O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-35-37-38-40-42-44-47-50-53-56-59-62-68(70)73-66-67(65-72-64-61-58-55-52-49-46-27-24-21-18-15-12-9-6-3)74-69(71)63-60-57-54-51-48-45-43-41-39-36-33-31-29-26-23-20-17-14-11-8-5-2/h29,31,36,39-40,42-43,45,50-51,53-54,67H,4-28,30,32-35,37-38,41,44,46-49,52,55-66H2,1-3H3/b31-29-,39-36-,42-40-,45-43-,53-50+,54-51-/t67-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C/CC/C=C\CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COCCCCCCCCCCCCCCCC

References

Other Databases