In-Silico Structure Database (LMISSD)

Common Name
TG(10:0/26:2(5Z,9Z)/24:1(15Z))
Systematic Name
1-decanoyl-2-(5Z,9Z-hexacosadienoyl)-3-(15Z-tetracosenoyl)-sn-glycerol
LM ID
LMGL03019EQ3
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
968.877190
Formula
C63H116O6
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)
NGFDKUSFPDMARC-NBJCVXTASA-N
InChi (Click to copy)
InChI=1S/C63H116O6/c1-4-7-10-13-16-18-20-22-24-26-28-30-31-33-35-37-39-41-43-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-15-12-9-6-3)59-68-62(65)56-53-50-47-44-42-40-38-36-34-32-29-27-25-23-21-19-17-14-11-8-5-2/h23,25,37,39,45,48,60H,4-22,24,26-36,38,40-44,46-47,49-59H2,1-3H3/b25-23-,39-37-,48-45-/t60-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O

References

Other Databases