ChEBI


  9  9  0  0  0  0  0  0  0  0  1 V2000
   13.8185  -30.3177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8185  -31.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6666  -29.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6666  -32.3127    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5148  -30.3177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5148  -31.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667  -28.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4500  -32.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8833  -29.7287    0.0000 C   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
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  2  0  0  0  0
  8  6  2  0  0  0  0
  9  1  1  0  0  0  0
M  END
> <ID>
CHEBI:27468

> <NAME>
5,6-dihydrothymine

> <DEFINITION>
A pyrimidone obtained by formal addition of hydrogen across the 5,6-position of thymine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1998; CHEBI:20510

> <SYNONYM>
Dihydrothymine; 5-Methyl-5,6-dihydrouracil; 5,6-dihydrothymine; 5,6-Dihydrothymine; 5,6-Dihydro-5-methyluracil

> <IUPAC_NAME>
5-methyldihydropyrimidine-2,4(1H,3H)-dione; 5,6-dihydrothymine

> <FORMULA>
C5H8N2O2

> <MASS>
128.12930

> <MONOISOTOPIC_MASS>
128.05858

> <CHARGE>
0

> <SMILES>
CC1CNC(=O)NC1=O

> <INCHI>
InChI=1S/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)

> <INCHIKEY>
NBAKTGXDIBVZOO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
696-04-8

> <REAXYS_REGISTRY_NUMBER>
81983

> <CHEMIDPLUS>
696-04-8

> <KEGG_COMPOUND_ACCESSION>
C00906

> <PUBMED_CITATION>
12798197; 20509700; 2669952

$$$$