BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

2-amino-3-(3H-imidazol-4-yl)propanoic Acid

2-amino-3-(3H-imidazol-4-yl)propanoic Acid synonyms

D-Histidine

Wikipedia:

Graphical representations:

2-amino-3-(3H-imidazol-4-yl)propanoic acid image

View large 3D structure

Molecular Formula: C6H9N3O2

Natural Isotopic Abundance Mass: 155.15456

Mono-Isotopic Molecular Masses:

  • C12N14: 155.069476543
  • C13N14: 161.089605571
  • C12N15: 158.060581222
  • C13N15: 164.08071025

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-/m1/s1

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   71083
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_03617

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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