In-Silico Structure Database (LMISSD)

Common Name
TG(30:0/32:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-triacontanoyl-2-dotriacontanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
LM ID
LMGL0301J655
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1301.221490
Formula
C87H160O6
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)
MYLHEYAHAMFTKN-GEAOQGSASA-N
InChi (Click to copy)
InChI=1S/C87H160O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-38-40-42-43-45-47-49-51-54-57-60-63-66-69-72-75-78-81-87(90)93-84(82-91-85(88)79-76-73-70-67-64-61-58-55-52-33-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-56-53-50-48-46-44-41-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,52,55,61,64,84H,4-8,10-11,13-17,19-20,22-26,28-29,31-51,53-54,56-60,62-63,65-83H2,1-3H3/b12-9-,21-18-,30-27-,55-52-,64-61-/t84-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases