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In-Silico Structure Database (LMISSD)

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Common Name

TG(20:2(11Z,14Z)/15:1(9Z)/22:0)

Systematic Name

1-(11Z,14Z-eicosadienoyl)-2-(9Z-pentadecenoyl)-3-docosanoyl-sn-glycerol

LM ID

LMGL0301E7EB

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)

KXRJWYSVQZZUKE-JLMNAYBKSA-N

InChi (Click to copy)

InChI=1S/C60H110O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h17-18,20-21,26,28,57H,4-16,19,22-25,27,29-56H2,1-3H3/b20-17-,21-18-,28-26-/t57-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O