ChEBI


 11 11  0  0  1  0  0  0  0  0  1 V2000
   12.9460  -12.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0227  -11.5671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3559  -13.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0980  -12.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6860  -13.6143    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5147  -14.6553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3527  -11.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8433  -11.7547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7121  -12.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521  -13.7832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5409  -11.8239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  2  0  0  0  0
  7  4  2  0  0  0  0
  1  8  1  6  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:15677

> <NAME>
(R)-(-)-allantoin

> <DEFINITION>
An optically active form of allantoin having (R)-(−)-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10962; CHEBI:298; CHEBI:18640

> <SYNONYM>
(R)-allantoin; (R)-Allantoin; (R)(-)-Allantoin

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

> <FORMULA>
C4H6N4O3

> <MASS>
158.11560

> <MONOISOTOPIC_MASS>
158.04399

> <CHARGE>
0

> <SMILES>
NC(=O)N[C@@H]1NC(=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)/t1-/m1/s1

> <INCHIKEY>
POJWUDADGALRAB-PVQJCKRUSA-N

> <REAXYS_REGISTRY_NUMBER>
83512

> <KEGG_COMPOUND_ACCESSION>
C02348

> <METACYC_ACCESSION>
R--ALLANTOIN

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