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

Histamine bmse000744 - Data

Histamine synonyms

Ergamine; Istamina; 2-(1H-imidazol-4-yl)ethanamine; 2-(4-Imidazolyl)ethylamine; Theramine; Ethylamine, 2-imidazol-4-yl-; Eramin; beta-Imidazolyl-4-ethylamine; Imidazole-4-ethylamine; Ergotidine; beta-Aminoethylimidazole

Wikipedia:

Graphical representations:

histamine

View large 3D structure

Molecular Formula: C5H9N3

Natural Isotopic Abundance Mass: 111.14506

Mono-Isotopic Molecular Masses:

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

InChI string: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)

PubChem Compound (CID): 774
CAS Registry number: 51-45-6
MMCD: cq_00278
CAS Registry number: 64422-25-9 51-45-6 924364-91-0
ChEBI: CHEBI:18295
EPA DSSTox: 23125
ChemBank: KBio3_000854
BindingDB: 22554
HSDB: 3338
ChemIDplus: 000051456
EINECS: 200-100-6
KEGG Compound ID: C00388
CCRIS: 6535
NIST: 2091433968
PDB Compound ID: HSM

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)