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D-Alanine
SpectraBase Compound ID 7IvCG5w07Hf
InChI InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1
InChIKey QNAYBMKLOCPYGJ-UWTATZPHSA-N
Mol Weight 89.09 g/mol
Molecular Formula C3H7NO2
Exact Mass 89.047678 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HyUq0KOmUen
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