| SpectraBase Spectrum ID |
D1kXDGGqNwB |
| Name |
N-Acetyl-L-glutamine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
2490-97-3
30703-24-3
7577-60-8 |
| Comments |
100 mM N-acetyl-L-Glutamine - vendor: MP Biomedicals 100099; 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 |
C7H12N2O4 |
| IUPAC Name |
2-acetamido-4-aminocarbonyl-butanoic acid; 2-acetamido-4-carbamoyl-butanoic acid |
| InChI |
InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13) |
| InChIKey |
KSMRODHGGIIXDV-UHFFFAOYSA-N |
| PubChem Compound ID |
25561 |
| SMILES |
CC(=O)NC(CCC(=O)N)C(=O)O |
| Source File Reference |
bmse000145 |
