| SpectraBase Spectrum ID |
6lRWQv8owlW |
| Name |
DL-beta-Leucine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
5699-54-7 |
| Comments |
100 mM DL-beta-leucine - Sigma-Aldrich
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 |
C6 H13 N O2 |
| IUPAC Name |
3-amino-4-methylpentanoic acid; 3-amino-4-methyl-valeric acid; 3-amino-4-methyl-pentanoic acid |
| InChI |
InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9) |
| InChIKey |
GLUJNGJDHCTUJY-UHFFFAOYSA-N |
| PubChem Compound ID |
193411 |
| SMILES |
CC(C)C(CC(=O)O)N |
| Source File Reference |
bmse000466 |
