Marvin  09270717212D          

  9  8  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3  5  1  0  0  0  0
  2  4  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
M  END
> <ID>
CHEBI:16919

> <NAME>
creatine

> <DEFINITION>
A glycine derivative having methyl and amidino groups attached to the nitrogen.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:23404; CHEBI:41678; CHEBI:3909; CHEBI:14028

> <SYNONYM>
N-methyl-N-guanylglycine; N-Methyl-N-guanylglycine; N-carbamimidoyl-N-methylglycine; N-amidinosarcosine; N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE; N-(aminoiminomethyl)-N-methylglycine; Methylglycocyamine; Kreatin; Creatine; Creatin; alpha-Methylguanidino acetic acid; (N-methylcarbamimidamido)acetic acid; (alpha-methylguanido)acetic acid; (alpha-methylguanido)acetic acid; ((amino(imino)methyl)(methyl)amino)acetic acid

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

> <FORMULA>
C4H9N3O2

> <MASS>
131.13328

> <MONOISOTOPIC_MASS>
131.06948

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)

> <INCHIKEY>
CVSVTCORWBXHQV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
907175

> <CAS_REGISTRY_NUMBER>
57-00-1

> <GMELIN_REGISTRY_NUMBER>
240513

> <REAXYS_REGISTRY_NUMBER>
907175

> <CHEMIDPLUS>
57-00-1

> <DRUGBANK_ACCESSION>
DB00148

> <KEGG_COMPOUND_ACCESSION>
C00300

> <METACYC_ACCESSION>
CREATINE

> <NIST_CHEMISTRY_WEBBOOK>
57-00-1

> <PDBECHEM_ACCESSION>
CRN

> <WIKIPEDIA_ACCESSION>
Creatine

> <PUBMED_CITATION>
11356982; 11483809; 11867929; 12085493; 12184144; 12878267; 16445883; 17190852; 17253521; 17416441; 18555535; 19082141; 19651674; 19741514; 19968328; 21556832; 21660517; 21698493; 22038587; 22101931; 22196490; 22252611; 22347384; 22386973; 22422801; 22429992; 22465051; 22521466; 7752905

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