BMRB

Biological Magnetic Resonance Data Bank


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

N-acetyl-histidine

Graphical representations:

N-acetyl-histidine image

Molecular Formula: C8 H11 N3 O3

Natural Isotopic Abundance Mass: 197.19124

Mono-Isotopic Molecular Masses:

  • C12N14: 197.080041235
  • C13N14: 205.1068799374
  • C12N15: 200.0711459146
  • C13N15: 208.097984617

InCHi String:

canonical and isomeric SMILES: CC(=O)NC(CC1=CN=CN1)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-acetamido-3-(1H-imidazol-5-yl)propanoic acid

PUBCHEM iupac TRADITIONAL NAME
2-acetamido-3-(1H-imidazol-5-yl)propionic acid

PubChem Substance (SID):   5542860   5383909   413540
PubChem Compound (CID):   273260
KEGG: Compound ID   n/a
CAS Registry IDs:   2497-02-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   ChemBank Oprea1_546052   ChemDB 4267919   DTP/NCI 118364   NIST 3582068990   MMCD cq_01809

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.