Metabolomics Structure Database

MW REGNO: 38386
Common Name:4-Acetamidobutanoic acid
Systematic Name:4-acetamidobutanoic acid
RefMet Name:4-Acetamidobutanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
145.0739 (neutral)    Calculate m/z:
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:Gamma amino acids and derivatives [C0001880]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:18189
CHEBI ID:17645
KEGG ID:C02946
Chemspider ID:17180
BMRB ID:bmse000468
MetaCyc ID:CPD-35
NP-MRD ID(NMR):NP0001154
Plant Metabolite Hub(Pmhub):MS000000198


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