Mrv0541 01151416452D          

 11 11  0  0  0  0            999 V2000
    4.9737   -0.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2592    0.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448   -0.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9737    0.2584    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2592    1.4959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2592   -0.9791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6881   -0.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5448    0.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303    0.6709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303    1.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1158    0.2584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  3  2  0  0  0  0
  8  2  1  0  0  0  0
  3  6  1  0  0  0  0
  6  1  1  0  0  0  0
  1  4  1  0  0  0  0
  4  2  2  0  0  0  0
  1  7  2  0  0  0  0
  2  5  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <ID>
CHEBI:76794

> <NAME>
5-formylcytosine

> <DEFINITION>
A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a formyl group.

> <STAR>
3

> <SYNONYM>
cytosine-5-carbaldehyde; 4-amino-2-oxopyrimidine-5-carbaldehyde

> <IUPAC_NAME>
4-amino-2-oxo-1,2-dihydropyrimidine-5-carbaldehyde

> <FORMULA>
C5H5N3O2

> <MASS>
139.11210

> <MONOISOTOPIC_MASS>
139.03818

> <CHARGE>
0

> <SMILES>
Nc1nc(=O)[nH]cc1C=O

> <INCHI>
InChI=1S/C5H5N3O2/c6-4-3(2-9)1-7-5(10)8-4/h1-2H,(H3,6,7,8,10)

> <INCHIKEY>
FHSISDGOVSHJRW-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
7019680

> <PUBMED_CITATION>
21778364; 22820989; 23512548; 23602152; 23602153; 23629475; 23912899; 23932479; 24008380; 24042448; 24045206; 24063363; 24162071; 24335252; 24400731; 24413472

$$$$