BMRB

Biological Magnetic Resonance Data Bank


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

Histamine

Graphical representations:

Histamine image

Molecular Formula: C5 H9 N3

Natural Isotopic Abundance Mass: 111.14506

Mono-Isotopic Molecular Masses:

  • C12N14: 111.0796473045
  • C13N14: 116.0964214935
  • C12N15: 114.0707519841
  • C13N15: 119.0875261731

InCHi String:

canonical and isomeric SMILES: C1=C(NC=N1)CCN

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-(1H-imidazol-5-yl)ethanamine

PUBCHEM iupac TRADITIONAL NAME
2-(1H-imidazol-5-yl)ethylamine

PubChem Substance (SID):   111677875   148610   92297625
PubChem Compound (CID):   774
KEGG: Compound ID   C00388
CAS Registry IDs:   64422-25-9   51-45-6   924364-91-0
PDB Chemical Component   HSM
Miscellaneous Databases and IDs:   CAS 51-45-6   MMCD cq_00278   ChEBI CHEBI:18295   EPA DSSTox 23125   ChemBank KBio3_000854   BindingDB 22554   HSDB 3338   ChemIDplus 000051456   EINECS 200-100-6   CCRIS 6535   NIST 2091433968

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.