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In-Silico Structure Database (LMISSD)

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Common Name

TG(18:2(9E,11E)/16:1(9Z)/23:0)

Systematic Name

1-(9E,11E-octadecadienoyl)-2-(9Z-hexadecenoyl)-3-tricosanoyl-sn-glycerol

LM ID

LMGL0301C46E

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)

PUPXPOSWDBIRDE-BZZZYELQSA-N

InChi (Click to copy)

InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-33-36-38-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-39-34-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-35-32-26-23-20-17-14-11-8-5-2/h20-21,23-24,26,32,57H,4-19,22,25,27-31,33-56H2,1-3H3/b23-20+,24-21-,32-26+/t57-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)COC(CCCCCCC/C=C/C=C/CCCCCC)=O