LIPID MAPS

Common Name

TG(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/23:0)

Systematic Name

1-(9Z-tetradecenoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-tricosanoyl-sn-glycerol

LM ID

LMGL03019331

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

920.783290

Formula

C₆₀H₁₀₄O₆

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".

Classification

String Representations

InChiKey (Click to copy)

ZGMPOOYPMKOAER-ZCURFTJISA-N

InChi (Click to copy)

InChI=1S/C60H104O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-32-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-34-31-27-25-23-20-17-14-11-8-5-2/h8,11,15,17-18,20,25,27,34,36,42,45,57H,4-7,9-10,12-14,16,19,21-24,26,28-33,35,37-41,43-44,46-56H2,1-3H3/b11-8-,18-15-,20-17-,27-25-,36-34-,45-42-/t57-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCC)=O