In-Silico Structure Database (LMISSD)

Common Name
TG(10:0/15:0/22:2(13Z,16Z))
Systematic Name
1-decanoyl-2-pentadecanoyl-3-(13Z,16Z-docosadienoyl)-sn-glycerol
LM ID
LMGL03019APM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
788.689390
Formula
C50H92O6
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)
LXRVQZHPDIHKEP-PXFQSZMOSA-N
InChi (Click to copy)
InChI=1S/C50H92O6/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-28-30-31-34-37-40-43-49(52)55-46-47(45-54-48(51)42-39-36-33-15-12-9-6-3)56-50(53)44-41-38-35-32-29-21-19-17-14-11-8-5-2/h16,18,22-23,47H,4-15,17,19-21,24-46H2,1-3H3/b18-16-,23-22-/t47-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O

References

Other Databases