In-Silico Structure Database (LMISSD)

Common Name
TG(24:4(5Z,8Z,11Z,14Z)/20:0/17:2(9Z,12Z))
Systematic Name
1-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-2-eicosanoyl-3-(9Z,12Z-heptadecadienoyl)-sn-glycerol
LM ID
LMGL0301INE3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
976.845890
Formula
C64H112O6
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)
NWDRGHKPAGRILD-LUCQJCNXSA-N
InChi (Click to copy)
InChI=1S/C64H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-34-29-26-23-20-17-14-11-8-5-2/h15,18,24,27-28,30,32-33,36,39,45,48,61H,4-14,16-17,19-23,25-26,29,31,34-35,37-38,40-44,46-47,49-60H2,1-3H3/b18-15-,27-24-,30-28-,33-32-,39-36-,48-45-/t61-/m0/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O

References

Other Databases