In-Silico Structure Database (LMISSD)

Common Name
TG(20:4(5Z,8Z,11Z,14Z)/32:0/18:2(9Z,12Z))
Systematic Name
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-dotriacontanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301GCXZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1102.986740
Formula
C73H130O6
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)
NCTGLRFCWSMKDW-YIZMYCRFSA-N
InChi (Click to copy)
InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-43-46-49-52-55-58-61-64-67-73(76)79-70(68-77-71(74)65-62-59-56-53-50-47-44-27-24-21-18-15-12-9-6-3)69-78-72(75)66-63-60-57-54-51-48-45-42-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,44-45,48,54,57,70H,4-16,19,22-25,28,30-43,46-47,49-53,55-56,58-69H2,1-3H3/b20-17-,21-18-,29-26-,44-27-,48-45-,57-54-/t70-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O

References

Other Databases