Marvin  01220710342D          

  8  8  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   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
M  END
> <ID>
CHEBI:16040

> <NAME>
cytosine

> <DEFINITION>
An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:23531; CHEBI:41732; CHEBI:4072; CHEBI:14066

> <SYNONYM>
Zytosin; cytosine; Cytosine; Cytosin; Cyt; C; 4-amino-2-hydroxypyrimidine; 4-amino-2(1H)-pyrimidinone

> <IUPAC_NAME>
4-aminopyrimidin-2(1H)-one

> <FORMULA>
C4H5N3O

> <MASS>
111.10212

> <MONOISOTOPIC_MASS>
111.04326

> <CHARGE>
0

> <SMILES>
Nc1cc[nH]c(=O)n1

> <INCHI>
InChI=1S/C4H5N3O/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

> <INCHIKEY>
OPTASPLRGRRNAP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2637

> <CAS_REGISTRY_NUMBER>
71-30-7

> <GMELIN_REGISTRY_NUMBER>
82472

> <REAXYS_REGISTRY_NUMBER>
2637

> <CHEMIDPLUS>
71-30-7

> <KEGG_COMPOUND_ACCESSION>
C00380

> <KNAPSACK_ACCESSION>
C00001498

> <METACYC_ACCESSION>
CYTOSINE

> <NIST_CHEMISTRY_WEBBOOK>
71-30-7

> <PDBECHEM_ACCESSION>
CYT

> <WIKIPEDIA_ACCESSION>
Cytosine

> <PUBMED_CITATION>
14253484; 22770225; 7877593

$$$$