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In-Silico Structure Database (LMISSD)

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Common Name

TG(26:1(5Z)/13:0/18:2(9E,11E))

Systematic Name

1-(5Z-hexacosenoyl)-2-tridecanoyl-3-(9E,11E-octadecadienoyl)-sn-glycerol

LM ID

LMGL0301I1BR

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)

FMHORRUAMOZQKS-GJPNZFJISA-N

InChi (Click to copy)

InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-31-32-33-35-37-39-42-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-40-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-41-38-36-34-25-23-20-17-14-11-8-5-2/h20,23,25,34,42,44,57H,4-19,21-22,24,26-33,35-41,43,45-56H2,1-3H3/b23-20+,34-25+,44-42-/t57-/m0/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCC/C=C/C=C/CCCCCC)[C@]([H])(OC(CCCCCCCCCCCC)=O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O