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In-Silico Structure Database (LMISSD)

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Common Name

TG(11:0/18:2(9Z,12Z)/28:0)

Systematic Name

1-undecanoyl-2-(9Z,12Z-octadecadienoyl)-3-octacosanoyl-sn-glycerol

LM ID

LMGL03019HIH

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)

YENMMQFXQRKPAQ-CWCFZRESSA-N

InChi (Click to copy)

InChI=1S/C60H112O6/c1-4-7-10-13-16-19-21-23-25-26-27-28-29-30-31-32-33-34-36-37-39-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-18-15-12-9-6-3)66-60(63)54-51-48-45-42-40-38-35-24-22-20-17-14-11-8-5-2/h17,20,24,35,57H,4-16,18-19,21-23,25-34,36-56H2,1-3H3/b20-17-,35-24-/t57-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCC)=O