BMRB

Biological Magnetic Resonance Data Bank


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

Creatine Phosphate

Creatine Phosphate bmse000079 - Data bmst000305 - Theory

Creatine_phosphate synonyms

Phosphocreatine; N-Phosphocreatine; Creatine phosphate; Glycine, N-(imino(phosphonoamino)methyl)-N-methyl-; PHOSPHOCREATINE

Wikipedia:

Graphical representations:

creatine_phosphate

View large 3D structure

Molecular Formula: C4H10N3O5P

Natural Isotopic Abundance Mass: 211.1130610000

Mono-Isotopic Molecular Masses:

  • C12N14: 211.035806957
  • C13N14: 215.049226308
  • C12N15: 214.026911637
  • C13N15: 215.049226308

InChI string: InChI=1/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)/f/h8,10-11H,5H2/b6-4+

IUPAC: 2-[methyl-(N'-phosphonocarbamimidoyl)amino]acetic acid

PubChem Compound (CID): 587
KEGG Compound ID: C02305
CAS Registry number: 67-07-2 922-32-7
ChEBI: 17287
EINECS: 200-643-9

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)