bmse000079 Creatine phosphate at BMRB

Creatine phosphate

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

Molecular Formula: C4 H10 N3 O5 P
Natural Isotopic Abundance Mass: 211.1130610000
Mono-Isotopic Molecular Masses: C12N14: 211.035806957; C13N14: 215.049226308; C12N15: 214.026911637; C13N15: 218.0403309879

Creatine phosphate

InCHi String:
InChI=1S/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)

isomeric and canonical SMILES:
CN(CC(=O)O)C(=NP(=O)(O)O)N

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

IUPAC cas
2-[(amino-phosphonoimino-methyl)-methyl-amino]acetic acid

IUPAC systematic
2-[methyl-(N'-phosphonocarbamimidoyl)amino]ethanoic acid

PubChem Substance (SID):   111677719   149112   5359
PubChem Compound (CID):   587
KEGG: Compound ID   C02305
CAS Registry IDs:   67-07-2   922-32-7
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CHEBI 17287   EINECS 200-643-9

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.