|
Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
Member of
|
Alanine
DL_Alanine synonyms
NSC 7602; 2-Aminopropionic acid; Alanine, DL-; DL-alpha-Alanine; (+-)-2-Aminopropionic acid; (+-)-Alanine; DL-ALANINE; DL-2-Aminopropanoic acid; 2-Aminopropanoic acid; D,L-Alanine; (R,S)-Alanine
Graphical representations:
View large 3D structure
Molecular Formula: C3H7NO2
Natural Isotopic Abundance Mass: 89.0931800000
Mono-Isotopic Molecular Masses:
- C12N14: 89.0476784741
- C13N14: 92.0577429875
- C12N15: 90.0447133673
- C13N15: 92.0577429875
InChI string: InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/f/h5H
IUPAC: 2-aminopropanoic acid
PubChem Compound (CID): 602KEGG Compound ID: C01401
ChemIDplus: 000302727
CAS Registry number: 302-72-7
EINECS: 206-126-4
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)