LIPID MAPS

In-Silico Structure Database (LMISSD)

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Common Name

TG(14:1(9Z)/19:0/25:0)

Systematic Name

1-(9Z-tetradecenoyl)-2-nonadecanoyl-3-pentacosanoyl-sn-glycerol

LM ID

LMGL03019229

Status

Active (generated by computational methods)

Exact Mass

Calculate m/z

944.877190

Formula

C₆₁H₁₁₆O₆

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)

ZCZAIAIXZAANDR-HNOSMQIWSA-N

InChi (Click to copy)

InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-32-33-35-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-27-25-23-20-17-14-11-8-5-2/h15,18,58H,4-14,16-17,19-57H2,1-3H3/b18-15-/t58-/m1/s1

SMILES (Click to copy)

C(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O