In-Silico Structure Database (LMISSD)

Common Name
TG(18:3(9Z,12Z,15Z)/15:0/23:0)
Systematic Name
1-(9Z,12Z,15Z-octadecatrienoyl)-2-pentadecanoyl-3-tricosanoyl-sn-glycerol
LM ID
LMGL0301DVHZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
912.814590
Formula
C59H108O6
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)
YCXQNOCJQQOXLA-UMLFMBAHSA-N
InChi (Click to copy)
InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,32,56H,4-7,9-10,12-16,18-19,21-25,27-31,33-55H2,1-3H3/b11-8-,20-17-,32-26-/t56-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases