Creatinine

Creatinine bmse000155 - Data bmse001001 - Data bmst000306 - Theory

Creatinine synonyms

Creatinine (VAN) (8CI); 2-Imino-1-methylimidazolidin-4-one; Creatinine,heated; 1-Methylglycocyamidine; AI3-15321; 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-; 1-Methylhydantoin-2-imide; CREATININE

Wikipedia:

Graphical representations:

creatinine

View large 3D structure

Molecular Formula: C4H7N3O

Natural Isotopic Abundance Mass: 113.1178800000

Mono-Isotopic Molecular Masses:

  • C12N14: 113.058911862
  • C13N14: 117.072331214
  • C12N15: 116.050016542
  • C13N15: 117.072331214

InChI string: InChI=1/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)/f/h5H2

IUPAC: 2-amino-1-methyl-5H-imidazol-4-one

PubChem Compound (CID): 588
KEGG Compound ID: C00791
CAS Registry number: 15231-31-9 45514-66-7 60-27-5 82016-55-5
ChEBI: 16737
EINECS: 200-466-7
NSC: 13123

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)