Marvin  02050816202D          

 18 20  0  0  1  0            999 V2000
    0.9372   -0.2267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2227   -1.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2226   -2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371   -2.7017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -1.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362   -1.2093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212   -1.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362   -2.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912   -3.3290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2062   -3.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6911   -4.6639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4361   -5.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882   -6.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4757   -4.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1432   -4.8939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -3.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  0  0  0  0
M  END
> <ID>
CHEBI:17256

> <NAME>
2'-deoxyadenosine

> <DEFINITION>
A purine 2'-deoxyribonucleoside having adenine as the nucleobase.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:39863; CHEBI:40535; CHEBI:19234; CHEBI:40560; CHEBI:40565; CHEBI:4405; CHEBI:14112

> <SYNONYM>
Deoxyadenosine; dA; adenyldeoxyriboside; adenine deoxyribonucleoside; 9-(2-deoxy-beta-D-ribofuranosyl)-9H-purin-6-amine; 9-(2-Deoxy-beta-D-erythro-pentofuranosyl)adenine; 5-(6-AMINO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL; 2'-deoxyadenosine; 2'-Deoxyadenosine; (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol

> <IUPAC_NAME>
2'-deoxyadenosine

> <FORMULA>
C10H13N5O3

> <MASS>
251.24212

> <MONOISOTOPIC_MASS>
251.10184

> <CHARGE>
0

> <SMILES>
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1

> <INCHI>
InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1

> <INCHIKEY>
OLXZPDWKRNYJJZ-RRKCRQDMSA-N

> <CAS_REGISTRY_NUMBER>
958-09-8

> <GMELIN_REGISTRY_NUMBER>
283189

> <REAXYS_REGISTRY_NUMBER>
91015

> <CHEMIDPLUS>
958-09-8

> <KEGG_COMPOUND_ACCESSION>
C00559

> <KNAPSACK_ACCESSION>
C00019281

> <METACYC_ACCESSION>
DEOXYADENOSINE

> <NIST_CHEMISTRY_WEBBOOK>
958-09-8

> <PDBECHEM_ACCESSION>
3D1

> <WIKIPEDIA_ACCESSION>
Deoxyadenosine

> <PUBMED_CITATION>
14253484; 18508186; 24144081; 8171392; 9869364

$$$$