ChEBI
  Marvin  02091110562D          

 16 17  0  0  1  0            999 V2000
    6.4185   -3.5210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0880   -3.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -4.3060    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0880   -2.3436    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -3.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7490   -2.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -1.9511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7806   -3.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -1.1662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0563   -4.3060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7259   -3.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3103   -5.0909    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1645   -5.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8024   -5.7835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2252   -4.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0637   -3.2209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  1  0  0  0
  5  1  1  0  0  0  0
  4  2  1  0  0  0  0
  8  2  2  0  0  0  0
 11  3  1  0  0  0  0
 13  3  1  0  0  0  0
  7  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  9  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 10 15  1  1  0  0  0
 13 12  1  0  0  0  0
 12 14  1  6  0  0  0
 16 15  1  0  0  0  0
M  END
> <ID>
CHEBI:16450

> <NAME>
2'-deoxyuridine

> <DEFINITION>
A pyrimidine 2'-deoxyribonucleoside having uracil as the nucleobase.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11398; CHEBI:42178; CHEBI:46165; CHEBI:46289; CHEBI:46293; CHEBI:4434; CHEBI:11572; CHEBI:14123; CHEBI:19261; CHEBI:23640; CHEBI:29113

> <SYNONYM>
dU; Deoxyuridine; 2-Deoxyuridine; 2'-deoxyuridine; 2'-Deoxyuridine

> <IUPAC_NAME>
1-(2-deoxy-beta-D-erythro-pentofuranosyl)uracil

> <FORMULA>
C9H12N2O5

> <MASS>
228.20200

> <MONOISOTOPIC_MASS>
228.07462

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O

> <INCHI>
InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1

> <INCHIKEY>
MXHRCPNRJAMMIM-SHYZEUOFSA-N

> <CAS_REGISTRY_NUMBER>
951-78-0

> <REAXYS_REGISTRY_NUMBER>
24433

> <DRUGBANK_ACCESSION>
DB02256

> <KEGG_COMPOUND_ACCESSION>
C00526

> <KNAPSACK_ACCESSION>
C00019697

> <METACYC_ACCESSION>
DEOXYURIDINE

> <PDBECHEM_ACCESSION>
DUR

> <WIKIPEDIA_ACCESSION>
Deoxyuridine

> <PUBMED_CITATION>
24463401

$$$$