| SpectraBase Spectrum ID |
A57YaAF25EU |
| Name |
N-Acetyl-L-alanine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
97-69-8 |
| Comments |
100 mM N-Acetyl-L-Alanine - vendor: MP Biomedicals 150227; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C5H9NO3 |
| IUPAC Name |
2-acetamidopropanoic acid |
| InChI |
InChI=1S/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9) |
| InChIKey |
KTHDTJVBEPMMGL-UHFFFAOYSA-N |
| PubChem Compound ID |
7345 |
| SMILES |
CC(C(=O)O)NC(=O)C |
| Source File Reference |
bmse000157 |
