Marvin  12070909552D          

 15 16  0  0  1  0            999 V2000
    0.0000   -0.8250    0.0000 N   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 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    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
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6674   -2.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -2.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.9195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4125   -2.9195    0.0000 C   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
    0.0000    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -3.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619   -4.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1  2  1  0  0  0  0
  2 12  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5 13  1  0  0  0  0
  3  6  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  1  0  0  0
 10 11  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:10101

> <NAME>
zalcitabine

> <DEFINITION>
A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase.

> <STAR>
3

> <SYNONYM>
Dideoxycytidine; DDCYD; DDC; 4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one; 2',3'-Dideoxycytidine

> <IUPAC_NAME>
2',3'-dideoxycytidine

> <INN>
zalcitabine

> <FORMULA>
C9H13N3O3

> <MASS>
211.21780

> <MONOISOTOPIC_MASS>
211.09569

> <CHARGE>
0

> <SMILES>
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1

> <INCHI>
InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1

> <INCHIKEY>
WREGKURFCTUGRC-POYBYMJQSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
654956

> <CAS_REGISTRY_NUMBER>
7481-89-2

> <REAXYS_REGISTRY_NUMBER>
654956

> <CHEMIDPLUS>
7481-89-2

> <DRUGBANK_ACCESSION>
DB00943

> <KEGG_COMPOUND_ACCESSION>
C07207

> <KEGG_DRUG_ACCESSION>
D00412

> <LINCS_ACCESSION>
LSM-5915

> <WIKIPEDIA_ACCESSION>
Zalcitabine

> <PUBMED_CITATION>
11905988; 7727578

$$$$