In-Silico Structure Database (LMISSD)

Common Name
TG(30:0/20:5(5Z,8Z,11Z,14Z,17Z)/39:0)
Systematic Name
1-triacontanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-nonatriacontanoyl-sn-glycerol
LM ID
LMGL0301J5K7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1371.299740
Formula
C92H170O6
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)
NKYHTHHWZASVLE-HRLNMQNZSA-N
InChi (Click to copy)
InChI=1S/C92H170O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-42-43-44-45-46-47-48-49-51-53-55-57-59-62-64-67-70-73-76-79-82-85-91(94)97-88-89(98-92(95)86-83-80-77-74-71-68-65-60-30-27-24-21-18-15-12-9-6-3)87-96-90(93)84-81-78-75-72-69-66-63-61-58-56-54-52-50-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,65,68,74,77,89H,4-8,10-11,13-17,19-20,22-26,28-29,31-64,66-67,69-73,75-76,78-88H2,1-3H3/b12-9-,21-18-,30-27-,68-65-,77-74-/t89-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases