BMRB

Biological Magnetic Resonance Data Bank


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

Agmatine

Agmatine bmse000063 - Data bmse000812 - Data bmse000936 - Data bmst000294 - Theory

Agmatine synonyms

1-Amino-4-guanidobutane; AGMATINE; Agmatine; Guanidine, (4-aminobutyl)- (8CI)(9CI); 1,4-Butanediamine, N-(aminoiminomethyl)-; (4-Aminobutyl)guanidine; 1-(4-Aminobutyl)guanidine; Argmatine; N-4-Aminobutylguanidine; (4-Aminobutyl) guanidine

Wikipedia:

Graphical representations:

agmatine

View large 3D structure

Molecular Formula: C5H14N4

Natural Isotopic Abundance Mass: 130.1914600000

Mono-Isotopic Molecular Masses:

  • C12N14: 130.12184647
  • C13N14: 135.138620659
  • C12N15: 134.109986043
  • C13N15: 135.138620659

InChI string: InChI=1/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)/f/h7-8H2

IUPAC: 2-(4-aminobutyl)guanidine

PubChem Compound (CID): 199
KEGG Compound ID: C00179
CAS Registry number: 306-60-5
ChEBI: 17431
EINECS: 206-187-7
NSC: 56332

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)