| SpectraBase Spectrum ID |
2c2Jmv12QAw |
| Name |
L-Aspartic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1115-63-5
14007-45-5
17090-93-6
181119-33-5
2001-89-0
2068-80-6
21059-46-1
3792-50-5
39162-75-9
5598-53-8
56-84-8
6899-03-2 |
| ChEBI ID |
17053 |
| Comments |
100 mM L-Aspartic_acid - vendor: Sigma a9256; 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 |
C4H7NO4 |
| IUPAC Name |
(2S)-2-aminosuccinic acid; (2S)-2-aminobutanedioic acid |
| InChI |
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1 |
| InChIKey |
CKLJMWTZIZZHCS-REOHCLBHSA-N |
| KEGG Compound ID |
C00049 |
| KEGG Pathways |
PATH: map00220 Urea cycle and metabolism of amino groups
PATH: map00252 Alanine and aspartate metabolism
PATH: map00260 Glycine, serine and threonine metabolism
PATH: map00300 Lysine biosynthesis
PATH: map00330 Arginine and proline metabolism
PATH: map00340 Histidine metabolism
PATH: map00410 beta-Alanine metabolism
PATH: map00460 Cyanoamino acid metabolism
PATH: map00710 Carbon fixation
PATH: map00760 Nicotinate and nicotinamide metabolism
PATH: map00910 Nitrogen metabolism
PATH: map00970 Aminoacyl-tRNA biosynthesis
PATH: map02010 ABC transporters - General
PATH: map02031 Bacterial chemotaxis - Organism-specific
PATH: map04080 Neuroactive ligand-receptor interaction |
| PubChem Compound ID |
5960 |
| SMILES |
C(C(C(=O)O)N)C(=O)O |
| Source File Reference |
bmse000031 |
