| SpectraBase Spectrum ID |
8Y3X4COspJP |
| Name |
DL-threo-beta-Methylaspartate |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
31571-69-4; 6667-60-3 |
| Comments |
100 mM DL-threo-beta-Methylaspartate - 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 |
C5 H9 N O4 |
| IUPAC Name |
2-amino-3-methylbutanedioic acid; 2-amino-3-methyl-succinic acid; 2-amino-3-methyl-butanedioic acid |
| InChI |
InChI=1S/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/s2 |
| InChIKey |
LXRUAYBIUSUULX-MZTXYVAJSA-N |
| PubChem Compound ID |
852 |
| SMILES |
CC(C(C(=O)O)N)C(=O)O |
| Source File Reference |
bmse000352 |
