| SpectraBase Spectrum ID |
KmOAK3yGKMJ |
| Name |
L-Alanine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
115967-49-2
170805-71-7
56-41-7
6898-94-8 |
| ChEBI ID |
16977 |
| Comments |
100 mM L-alanine - vendor: Sigma a7627; 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 |
(2S)-2-aminopropanoic acid |
| InChI |
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 |
| InChIKey |
QNAYBMKLOCPYGJ-REOHCLBHSA-N |
| KEGG Compound ID |
C00041 |
| KEGG Pathways |
PATH: map00252 Alanine and aspartate metabolism
PATH: map00272 Cysteine metabolism
PATH: map00430 Taurine and hypotaurine metabolism
PATH: map00450 Selenoamino acid metabolism
PATH: map00473 D-Alanine metabolism
PATH: map00710 Carbon fixation
PATH: map00720 Reductive carboxylate cycle (CO2 fixation)
PATH: map00970 Aminoacyl-tRNA biosynthesis |
| PubChem Compound ID |
5950 |
| SMILES |
CC(C(=O)O)N |
| Source File Reference |
bmse000028 |
