In-Silico Structure Database (LMISSD)

Common Name
TG(20:5(5Z,8Z,11Z,14Z,17Z)/36:0/34:0)
Systematic Name
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-hexatriacontanoyl-3-tetratriacontanoyl-sn-glycerol
LM ID
LMGL0301GS6M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1385.315390
Formula
C93H172O6
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)
SQTDPKLTDQCEDU-UGYYNXMJSA-N
InChi (Click to copy)
InChI=1S/C93H172O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-37-39-41-43-45-46-48-50-52-54-56-58-60-63-66-69-72-75-78-81-84-87-93(96)99-90(88-97-91(94)85-82-79-76-73-70-67-64-61-30-27-24-21-18-15-12-9-6-3)89-98-92(95)86-83-80-77-74-71-68-65-62-59-57-55-53-51-49-47-44-42-40-38-36-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,64,67,73,76,90H,4-8,10-11,13-17,19-20,22-26,28-29,31-63,65-66,68-72,74-75,77-89H2,1-3H3/b12-9-,21-18-,30-27-,67-64-,76-73-/t90-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases