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4-Aminobutanoic acid
SpectraBase Compound ID F6uxl9fx7MX
InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKey BTCSSZJGUNDROE-UHFFFAOYSA-N
Mol Weight 103.12 g/mol
Molecular Formula C4H9NO2
Exact Mass 103.063329 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6seuAU0R8CX
Name gamma-Aminobutyric acid
Acquisition Mode SIMULTANEOUS
CAS Registry Number 28805-76-7; 56-12-2
ChEBI ID 16865
Comments 100 mM gamma-Aminobutyric acid - Sigma-Aldrich 055k0644; Solvent D2O; Buffer sodium phosphate; Cytocide sodium azide; Reference DSS; pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C4 H9 N O2
IUPAC Name 4-aminobutanoic acid; 4-aminobutyric acid
InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKey BTCSSZJGUNDROE-UHFFFAOYSA-N
KEGG Compound ID C00334
KEGG Pathways PATH: ko00220 Urea cycle and metabolism of amino groups PATH: ko00251 Glutamate metabolism PATH: ko00410 beta-Alanine metabolism PATH: ko00650 Butanoate metabolism PATH: ko04080 Neuroactive ligand-receptor interaction
PubChem Compound ID 119
SMILES C(CC(=O)O)CN
Source File Reference bmse000340