In-Silico Structure Database (LMISSD)

Common Name
TG(38:0/36:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-octatriacontanoyl-2-hexatriacontanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycerol
LM ID
LMGL0301LDXK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1415.362340
Formula
C95H178O6
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)
LOFXQSMAUDFOLR-SUSXDGDSSA-N
InChi (Click to copy)
InChI=1S/C95H178O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-36-38-40-42-44-46-47-49-50-52-54-56-58-60-62-64-67-70-73-76-79-82-85-88-94(97)100-91-92(90-99-93(96)87-84-81-78-75-72-69-66-27-24-21-18-15-12-9-6-3)101-95(98)89-86-83-80-77-74-71-68-65-63-61-59-57-55-53-51-48-45-43-41-39-37-35-33-31-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,66,72,75,92H,4-8,10-11,13-17,19-20,22-26,28-65,67-71,73-74,76-91H2,1-3H3/b12-9-,21-18-,66-27-,75-72-/t92-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases