Ketcher 02061915062D 1   1.00000     0.00000     0

 10  9  0     0  0            999 V2000
   11.9792  -18.9007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8452  -18.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7113  -18.9007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5773  -18.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4433  -18.9007    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3093  -18.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1753  -18.9007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8452  -17.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5773  -17.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3093  -17.4007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  2  8  2  0     0  0
  4  9  2  0     0  0
  6 10  2  0     0  0
M  END
> <ID>
CHEBI:143024

> <NAME>
1-carboxybiuret

> <DEFINITION>
A member of the class of condensed ureas that is urea in which one of the amino groups has had one of the attached hydrogens replaced by a carbamoyl group and the second amino group has had one of its hydrogens replaced by a carboxy group.

> <STAR>
3

> <SYNONYM>
carboxybiuret; 1-carboxybiuret

> <IUPAC_NAME>
(carbamoylcarbamoyl)carbamic acid

> <FORMULA>
C3H5N3O4

> <MASS>
147.090

> <MONOISOTOPIC_MASS>
147.02801

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H5N3O4/c4-1(7)5-2(8)6-3(9)10/h(H,9,10)(H4,4,5,6,7,8)

> <INCHIKEY>
HAKPEUOAOGGSPC-UHFFFAOYSA-N

> <PUBMED_CITATION>
22730121; 24039269; 29523689

$$$$