LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

TG(11:0/20:2(5Z,8Z)/26:0)

Systematic Name

1-undecanoyl-2-(5Z,8Z-eicosadienoyl)-3-hexacosanoyl-sn-glycerol

LM ID

LMGL03019H9Z

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

928.845890

Formula

C₆₀H₁₁₂O₆

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)

LPJGVIROVFBWIC-YEVYRUJDSA-N

InChi (Click to copy)

InChI=1S/C60H112O6/c1-4-7-10-13-16-19-21-23-25-27-28-29-30-31-32-34-35-37-39-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-18-15-12-9-6-3)66-60(63)54-51-48-45-42-40-38-36-33-26-24-22-20-17-14-11-8-5-2/h36,38,42,45,57H,4-35,37,39-41,43-44,46-56H2,1-3H3/b38-36-,45-42-/t57-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O