Creatinine - Supplemental Proton Data
Creatinine synonyms
Creatinine (VAN) (8CI); 2-Imino-1-methylimidazolidin-4-one; Creatinine,heated; 1-Methylglycocyamidine; Creatinine; 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-; 1-Methylhydantoin-2-imide; CREATININE
Graphical representations:
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: 120.0634358932
InChI string: InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
IUPAC: 2-amino-1-methyl-5H-imidazol-4-one
PubChem Compound (CID): 588KEGG 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)