Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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(S)-4-(2-Amino-2-carboxyethyl)imidazole; 1H-Imidazole-4-alanine, (S)-; L-beta-(4-Imidazolyl)alanin; Histidine; Glyoxaline-5-alanine; S-Histidine; HISTIDINE, L-; alpha-Amino-1H-imidazole-4-propionic acid, (S)-; (L)-Histidine; L-Alanine, 3-(1H-imidazol-4-yl)-; (S)-alpha-Amino-1H-imidazole-4-propionic acid
Molecular Formula: C6H9N3O2
Natural Isotopic Abundance Mass: 155.1545600000
Mono-Isotopic Molecular Masses:
InChI string: InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
IUPAC: (2S)-2-amino-3-(3H-imidazol-4-yl)propanoic acid
PubChem Compound (CID): 6274Reference 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)