Marvin  12070911392D          

 19 20  0  0  1  0            999 V2000
   -1.0357   -0.7785    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0357    0.0465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7032   -1.2635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3683   -1.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3213    0.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502    0.4590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4482   -2.0481    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6232   -2.0481    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3213    1.2840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3932    0.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7502    1.2840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1383   -2.7155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357    1.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4647    1.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357    2.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332   -2.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7617   -3.5224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -2.5020    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4555   -2.2885    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 16  1  1  0  0  0
  8 12  1  6  0  0  0
  9 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 15  2  0  0  0  0
  7  8  1  0  0  0  0
 11 13  1  0  0  0  0
 16 17  1  0  0  0  0
 12 18  2  0  0  0  0
 18 19  2  0  0  0  0
M  CHG  2  18   1  19  -1
M  END
> <ID>
CHEBI:10110

> <NAME>
zidovudine

> <DEFINITION>
A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:619601

> <SYNONYM>
Zidovudinum; Zidovudin; AZT; Azidothymidine

> <IUPAC_NAME>
3'-azido-3'-deoxythymidine

> <INN>
zidovudine

> <BRAND_NAME>
Retrovir

> <FORMULA>
C10H13N5O4

> <MASS>
267.24130

> <MONOISOTOPIC_MASS>
267.09675

> <CHARGE>
0

> <SMILES>
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O

> <INCHI>
InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1

> <INCHIKEY>
HBOMLICNUCNMMY-XLPZGREQSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
763034

> <CAS_REGISTRY_NUMBER>
30516-87-1

> <CHEMIDPLUS>
30516-87-1

> <DRUGBANK_ACCESSION>
DB00495

> <KEGG_COMPOUND_ACCESSION>
C07210

> <KEGG_DRUG_ACCESSION>
D00413

> <LINCS_ACCESSION>
LSM-5806

> <METACYC_ACCESSION>
CPD-15110

> <PDBECHEM_ACCESSION>
AZZ

> <WIKIPEDIA_ACCESSION>
Zidovudine

> <PUBMED_CITATION>
26859826; 29438107; 9203666; 19112024

$$$$