ChEBI


  9  8  0  0  0  0  0  0  0  0  1 V2000
    9.5645   -5.7446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5645   -7.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4126   -5.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4126   -7.7396    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2608   -5.7446    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2608   -7.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1090   -7.7396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7163   -5.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1090   -5.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  1  2  0  0  0  0
  9  5  1  0  0  0  0
M  END
> <ID>
CHEBI:15737

> <NAME>
N-carbamoylsarcosine

> <DEFINITION>
The N-carbamoyl derivative of sarcosine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12498; CHEBI:7259; CHEBI:21692

> <SYNONYM>
N-Carbamoylsarcosine

> <IUPAC_NAME>
[carbamoyl(methyl)amino]acetic acid

> <FORMULA>
C4H8N2O3

> <MASS>
132.11800

> <MONOISOTOPIC_MASS>
132.05349

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8)

> <INCHIKEY>
SREKYKXYSQMOIB-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C01043

> <PDBECHEM_ACCESSION>
CMS

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