Metabolomics Structure Database

 
MW REGNO: 42486
Common Name:Norvaline
Systematic Name:(2R)-2-aminopentanoic acid
RefMet Name:Norvaline
Synonyms: [PubChem Synonyms]
Exact Mass:
117.0790 (neutral)    Calculate m/z:
Formula:C5H11NO2
InChIKey:SNDPXSYFESPGGJ-SCSAIBSYSA-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:Alpha amino acids [C0002404]
Massbank MS spectra:View MS spectra
SMILES:CCC[C@H](C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:439575
CHEBI ID:28804
HMDB ID:HMDB0013716
KEGG ID:C01799
Chemspider ID:388660
EPA CompTox DB:DTXCID20811175
Plant Metabolite Hub(Pmhub):MS000008312

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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