Marvin  11070610572D          

  7  6  0  0  0  0            999 V2000
    0.7145   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
M  END
> <ID>
CHEBI:9889

> <NAME>
urea-1-carboxylic acid

> <DEFINITION>
A member of the class of ureas that is urea in which one of the hydrogens has been replaced by a carboxy group.

> <STAR>
3

> <SYNONYM>
Urea-1-carboxylate; Allophanic acid; Allophanate

> <IUPAC_NAME>
(aminocarbonyl)carbamic acid

> <FORMULA>
C2H4N2O3

> <MASS>
104.06484

> <MONOISOTOPIC_MASS>
104.02219

> <CHARGE>
0

> <SMILES>
NC(=O)NC(O)=O

> <INCHI>
InChI=1S/C2H4N2O3/c3-1(5)4-2(6)7/h(H,6,7)(H3,3,4,5)

> <INCHIKEY>
AVWRKZWQTYIKIY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1756623

> <CAS_REGISTRY_NUMBER>
625-78-5

> <CHEMIDPLUS>
625-78-5

> <KEGG_COMPOUND_ACCESSION>
C01010

$$$$