LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

TG(13:0/24:1(15Z)/20:1(11Z))

Systematic Name

1-tridecanoyl-2-(15Z-tetracosenoyl)-3-(11Z-eicosenoyl)-sn-glycerol

LM ID

LMGL03019T8C

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)

GJKMKNQWCJONBE-LLDRTNCMSA-N

InChi (Click to copy)

InChI=1S/C60H112O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-35-37-39-42-45-48-51-54-60(63)66-57(55-64-58(61)52-49-46-43-40-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-34-32-27-25-23-20-17-14-11-8-5-2/h24-27,57H,4-23,28-56H2,1-3H3/b26-24-,27-25-/t57-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCC)=O