Ketcher 03271604432D 1   1.00000     0.00000     0

 10 10  0     0  0            999 V2000
   13.5000  -11.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000  -12.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3660  -13.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2321  -12.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2321  -11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3660  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3660  -10.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6340  -13.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0981  -11.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0981  -10.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  6  7  2  0     0  0
  2  8  2  0     0  0
  5  9  1  0     0  0
  9 10  2  0     0  0
M  END
> <ID>
CHEBI:80961

> <NAME>
5-formyluracil

> <DEFINITION>
A pyrimidone resulting from the formal oxidation of the alcoholic hydroxy group of 5-hydroxymethyluracil to the corresponding aldehyde. It is a major one-electron photooxidation product of thymine in oligodeoxynucleotides.

> <STAR>
3

> <SYNONYM>
uracil 5-carbaldehyde; FoU; 5fU

> <IUPAC_NAME>
2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde

> <FORMULA>
C5H4N2O3

> <MASS>
140.097

> <MONOISOTOPIC_MASS>
140.02219

> <CHARGE>
0

> <SMILES>
N1C(NC=C(C1=O)C=O)=O

> <INCHI>
InChI=1S/C5H4N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1-2H,(H2,6,7,9,10)

> <INCHIKEY>
OHAMXGZMZZWRCA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1195-08-0

> <CHEMIDPLUS>
1195-08-0

> <KEGG_COMPOUND_ACCESSION>
C17206

> <PDBECHEM_ACCESSION>
FYU

> <PUBMED_CITATION>
10780494; 11425519; 12531390; 12903278; 14510466; 15134443; 17989488; 23936307; 25946119; 26547069; 26679556; 8764944

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