Marvin  06241316582D          

 12 12  0  0  0  0            999 V2000
    8.1525   -8.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723   -8.8530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3774   -8.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4552   -7.8520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6982   -7.5241    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3312   -8.0649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9960   -9.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1655   -7.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8841   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5944   -7.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3130   -7.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5859   -6.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  1  6  2  0  0  0  0
  3  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <ID>
CHEBI:28297

> <NAME>
hydantoin-5-propionic acid

> <DEFINITION>
A imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5774; CHEBI:24626; CHEBI:24627

> <IUPAC_NAME>
3-(2,5-dioxoimidazolidin-4-yl)propanoic acid

> <FORMULA>
C6H8N2O4

> <MASS>
172.13870

> <MONOISOTOPIC_MASS>
172.04841

> <CHARGE>
0

> <SMILES>
OC(=O)CCC1NC(=O)NC1=O

> <INCHI>
InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)

> <INCHIKEY>
VWFWNXQAMGDPGG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
5624-26-0

> <REAXYS_REGISTRY_NUMBER>
83925

> <CHEMIDPLUS>
5624-26-0

> <KEGG_COMPOUND_ACCESSION>
C05565

> <PUBMED_CITATION>
13960896; 3760095; 5835442

$$$$