LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

TG(24:0/20:3(8Z,11Z,14Z)/13:0)

Systematic Name

1-tetracosanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-tridecanoyl-sn-glycerol

LM ID

LMGL0301IDAJ

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

926.830240

Formula

C₆₀H₁₁₀O₆

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

String Representations

InChiKey (Click to copy)

IMDIJCHWIKMXAW-VQJGIRTESA-N

InChi (Click to copy)

InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-34-36-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-37-35-32-27-25-23-20-17-14-11-8-5-2/h17,20,25,27,35,37,57H,4-16,18-19,21-24,26,28-34,36,38-56H2,1-3H3/b20-17-,27-25-,37-35-/t57-/m0/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCC)[C@]([H])(OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCC)=O