Metabolomics Structure Database

 
MW REGNO: 42493
Common Name:L-Leucine
Systematic Name:(2S)-2-amino-4-methylpentanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
131.0946 (neutral)    Calculate m/z:
Formula:C6H13NO2
InChIKey:ROHFNLRQFUQHCH-YFKPBYRVSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Leucine and derivatives [C0004329]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:6106
CHEBI ID:15603
HMDB ID:HMDB0000687
KEGG ID:C00123
Chemspider ID:5880
METLIN ID:24
BMRB ID:bmse000920
MetaCyc ID:LEU
EPA CompTox DB:DTXCID60206122

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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