| SpectraBase Spectrum ID |
8pdkuSVJd8Y |
| Name |
D-Alanine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
338-69-2 |
| ChEBI ID |
15570 |
| Comments |
100 mM D - Alanine - vendor: Sigma A-7377; 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 |
C3H7NO2 |
| IUPAC Name |
(2R)-2-aminopropanoic acid |
| InChI |
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 |
| InChIKey |
QNAYBMKLOCPYGJ-UWTATZPHSA-N |
| KEGG Compound ID |
C00133 |
| KEGG Pathways |
PATH: map00252 Alanine and aspartate metabolism
PATH: map00473 D-Alanine metabolism
PATH: map00550 Peptidoglycan biosynthesis
PATH: map00750 Vitamin B6 metabolism |
| PubChem Compound ID |
71080 |
| SMILES |
CC(C(=O)O)N |
| Source File Reference |
bmse000236 |
