Metabolomics Structure Database

 
MW REGNO: 1877
Common Name:2-amino-isobutyric acid
Systematic Name:2-amino-2-methyl-propanoic acid
RefMet Name:Aminoisobutyric acid
Synonyms: [PubChem Synonyms]
Exact Mass:
103.0633 (neutral)    Calculate m/z:
Formula:C4H9NO2
InChIKey:FUOOLUPWFVMBKG-UHFFFAOYSA-N
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Amino fatty acids [FA0110]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CC(C)(N)C(O)=O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:6119
LIPID MAPS ID:LMFA01100053
CHEBI ID:27971
HMDB ID:HMDB0001906
KEGG ID:C03665
Chemspider ID:5891
METLIN ID:37
NP-MRD ID(NMR):NP0000325

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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