ChEBI
  Marvin  09070517042D          

 11 11  0  0  0  0            999 V2000
    5.6976   -3.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1992   -2.9193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5120   -3.4895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3543   -4.3311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3979   -5.4254    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8082   -4.1576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0726   -4.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7410   -4.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9983   -4.1642    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8551   -5.1829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9580   -5.1990    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
  9  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  5  1  0  0  0  0
  7  6  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  2  0  0  0  0
  9  8  1  0  0  0  0
 11  8  2  0  0  0  0
M  END
> <ID>
CHEBI:15676

> <NAME>
allantoin

> <DEFINITION>
An imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2594; CHEBI:13761; CHEBI:22354

> <SYNONYM>
N-(2,5-Dioxo-4-imidazolidinyl)urea; Glyoxyldiureide; Allantoin; allantoin; 5-Ureidohydantoin; 5-Ureido-2,4-imidazolidindione; 4-ureido-2,5-imidazolidinedione; 2,5-Dioxo-4-imidazolidinyl-urea; (2,5-Dioxo-4-imidazolidinyl)urea

> <IUPAC_NAME>
N-(2,5-dioxoimidazolidin-4-yl)urea

> <FORMULA>
C4H6N4O3

> <MASS>
158.11560

> <MONOISOTOPIC_MASS>
158.04399

> <CHARGE>
0

> <SMILES>
NC(=O)NC1NC(=O)NC1=O

> <INCHI>
InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)

> <INCHIKEY>
POJWUDADGALRAB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
97-59-6

> <REAXYS_REGISTRY_NUMBER>
83514

> <CHEMIDPLUS>
97-59-6

> <KEGG_COMPOUND_ACCESSION>
C01551

> <KEGG_DRUG_ACCESSION>
D00121

> <KNAPSACK_ACCESSION>
C00007468

> <LINCS_ACCESSION>
LSM-5190

> <METACYC_ACCESSION>
ALLANTOIN

> <NIST_CHEMISTRY_WEBBOOK>
97-59-6

> <WIKIPEDIA_ACCESSION>
Allantoin

> <PUBMED_CITATION>
11157020; 14619112; 17190852

$$$$