ChEBI


  9  8  0  0  0  0  0  0  0  0  1 V2000
   19.2768   -7.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2768   -9.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4206   -7.0997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1330   -7.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9892   -5.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1330   -5.7697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9892   -3.7747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8188   -5.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9626   -7.7647    0.0000 O   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
  6  4  1  0  0  0  0
  9  4  2  0  0  0  0
  7  5  1  0  0  0  0
  6  5  1  0  0  0  0
  8  5  2  0  0  0  0
M  END
> <ID>
CHEBI:16582

> <NAME>
oxaluric acid

> <DEFINITION>
A 2-oxo monocarboxylic acid that is amino(oxo)acetic acid substituted by a carbamoylamino group at the nitrogen atom.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7816; CHEBI:14706; CHEBI:25737

> <SYNONYM>
ureido(oxo)acetic acid; Oxaluric acid; Oxalureate; Oxalurate; oxal; onooxalylurea; Monooxalylurea

> <IUPAC_NAME>
(carbamoylamino)(oxo)acetic acid

> <FORMULA>
C3H4N2O4

> <MASS>
132.07494

> <MONOISOTOPIC_MASS>
132.01711

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H4N2O4/c4-3(9)5-1(6)2(7)8/h(H,7,8)(H3,4,5,6,9)

> <INCHIKEY>
UWBHMRBRLOJJAA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
585-05-7

> <REAXYS_REGISTRY_NUMBER>
1769145

> <CHEMIDPLUS>
585-05-7

> <ECMDB_ACCESSION>
ECMDB20181

> <KEGG_COMPOUND_ACCESSION>
C00802

> <KNAPSACK_ACCESSION>
C00007463

> <METACYC_ACCESSION>
CPD-389

> <PUBMED_CITATION>
22583701; 23284870

$$$$