In-Silico Structure Database (LMISSD)

Common Name
TG(24:4(5Z,8Z,11Z,14Z)/34:0/26:2(5Z,9E))
Systematic Name
1-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-2-tetratriacontanoyl-3-(5Z,9E-hexacosadienoyl)-sn-glycerol
LM ID
LMGL0301IP5G
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1299.205840
Formula
C87H158O6
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)
MQMOSYVRQNMXCN-URHPSVFESA-N
InChi (Click to copy)
InChI=1S/C87H158O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-39-40-41-42-43-44-45-46-48-51-54-57-60-63-66-69-72-75-78-81-87(90)93-84(82-91-85(88)79-76-73-70-67-64-61-58-55-52-49-36-33-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-56-53-50-47-38-35-32-29-26-23-20-17-14-11-8-5-2/h30,33,49,52,56,58-59,61,67-68,70-71,84H,4-29,31-32,34-48,50-51,53-55,57,60,62-66,69,72-83H2,1-3H3/b33-30-,52-49-,59-56+,61-58-,70-67-,71-68-/t84-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCC/C=C\CC/C=C/CCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O

References

Other Databases