| 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 |
