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In-Silico Structure Database (LMISSD)

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Common Name

TG(20:3(8Z,11Z,14Z)/10:0/27:0)

Systematic Name

1-(8Z,11Z,14Z-eicosatrienoyl)-2-decanoyl-3-heptacosanoyl-sn-glycerol

LM ID

LMGL0301FMWR

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)

GEMLUEMWDFKRFU-QJQBDOAOSA-N

InChi (Click to copy)

InChI=1S/C60H110O6/c1-4-7-10-13-16-18-20-22-24-26-27-28-29-30-31-32-34-36-38-40-42-45-47-50-53-59(62)65-56-57(66-60(63)54-51-48-43-15-12-9-6-3)55-64-58(61)52-49-46-44-41-39-37-35-33-25-23-21-19-17-14-11-8-5-2/h17,19,23,25,35,37,57H,4-16,18,20-22,24,26-34,36,38-56H2,1-3H3/b19-17-,25-23-,37-35-/t57-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCC)=O)COC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O