In-Silico Structure Database (LMISSD)

Common Name
TG(32:0/18:2(2E,4E)/20:4(6E,8Z,11Z,14Z))
Systematic Name
1-dotriacontanoyl-2-(2E,4E-octadecadienoyl)-3-(6E,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol
LM ID
LMGL0301KEI1
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)
BURIZMSPUINXSJ-ZJCHGSDUSA-N
InChi (Click to copy)
InChI=1S/C73H130O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-34-35-36-37-38-39-40-41-43-46-48-51-54-57-60-63-66-72(75)78-69-70(79-73(76)67-64-61-58-55-52-49-44-27-24-21-18-15-12-9-6-3)68-77-71(74)65-62-59-56-53-50-47-45-42-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,45,47,50,53,58,61,64,67,70H,4-16,18-19,21-25,27-28,30-44,46,48-49,51-52,54-57,59-60,62-63,65-66,68-69H2,1-3H3/b20-17-,29-26-,47-45-,53-50+,61-58+,67-64+/t70-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCC/C=C/C=C\C/C=C\C/C=C\CCCCC)[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O

References

Other Databases