| SpectraBase Spectrum ID |
BdvA8Kgeq8F |
| Name |
L-Asparagine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
32640-57-6
328-41-6
70-47-3
7006-34-0 |
| ChEBI ID |
17196 |
| Comments |
100 mM L-Asparagine - vendor: Sigma a0884; 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 |
C4H8N2O3 |
| IUPAC Name |
(2S)-2-amino-3-aminocarbonyl-propanoic acid; (2S)-2-amino-3-carbamoyl-propanoic acid |
| InChI |
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1 |
| InChIKey |
DCXYFEDJOCDNAF-REOHCLBHSA-N |
| KEGG Compound ID |
C00152 |
| KEGG Pathways |
PATH: map00252 Alanine and aspartate metabolism
PATH: map00253 Tetracycline biosynthesis
PATH: map00460 Cyanoamino acid metabolism
PATH: map00910 Nitrogen metabolism
PATH: map00970 Aminoacyl-tRNA biosynthesis |
| PubChem Compound ID |
6267 |
| SMILES |
C(C(C(=O)O)N)C(=O)N |
| Source File Reference |
bmse000030 |
