Marvin  09280712242D          

 13 12  0  0  0  0            999 V2000
    2.1434   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1768    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0018    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 12  2  0  0  0  0
  3  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  3  5  1  0  0  0  0
  6  2  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
M  END
> <ID>
CHEBI:17287

> <NAME>
N-phosphocreatine

> <DEFINITION>
A phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12526; CHEBI:8145; CHEBI:14813; CHEBI:26053

> <SYNONYM>
{[imino(phosphonoamino)methyl](methyl)amino}acetic acid; phosphorylcreatine; Phosphocreatine; N(omega)-phosphonocreatine; N-Phosphorylcreatine; N-Phosphocreatine; N-phosphocreatine; N-(Phosphonoamidino)sarcosine; N-(N-phosphonoamido)sarcosine; Creatine phosphic acid; Creatine phosphate

> <IUPAC_NAME>
N-[imino(phosphonoamino)methyl]-N-methylglycine

> <FORMULA>
C4H10N3O5P

> <MASS>
211.11318

> <MONOISOTOPIC_MASS>
211.03581

> <CHARGE>
0

> <SMILES>
CN(CC(O)=O)C(=N)NP(O)(O)=O

> <INCHI>
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)

> <INCHIKEY>
DRBBFCLWYRJSJZ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1797096

> <CAS_REGISTRY_NUMBER>
67-07-2

> <REAXYS_REGISTRY_NUMBER>
1797096

> <CHEMIDPLUS>
67-07-2

> <KEGG_COMPOUND_ACCESSION>
C02305

> <METACYC_ACCESSION>
CREATINE-P

> <WIKIPEDIA_ACCESSION>
Phosphocreatine

> <PUBMED_CITATION>
1160340; 11867929; 13772879; 13881337; 14421251; 5879486

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