ChEBI
  Marvin  08050814052D          

 18 19  0  0  1  0            999 V2000
   18.7846  -22.9643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.3721  -23.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6096  -22.9643    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.0221  -23.6788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8645  -22.1798    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5297  -22.1798    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1971  -21.6948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5790  -21.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5790  -20.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0079  -20.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7224  -20.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8152  -21.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1007  -22.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2935  -22.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2935  -23.0048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0079  -21.7673    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2935  -20.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2935  -19.7047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0  0  0  0
  7  5  1  0  0  0  0
  6  1  1  0  0  0  0
  1  3  1  0  0  0  0
  3  5  1  0  0  0  0
  1  2  1  6  0  0  0
  3  4  1  6  0  0  0
  5  8  1  1  0  0  0
  6 12  1  1  0  0  0
  9  8  1  0  0  0  0
  8 14  1  0  0  0  0
 17  9  2  0  0  0  0
 17 10  1  0  0  0  0
 14 16  1  0  0  0  0
 16 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <ID>
CHEBI:45996

> <NAME>
ribothymidine

> <DEFINITION>
A methyluridine having a single methyl substituent at the 5-position on the uracil ring.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45995; CHEBI:45975; CHEBI:30821

> <SYNONYM>
Thymine riboside; t; ribosylthymidine; 1-(beta-D-ribofuranosyl)thymine

> <IUPAC_NAME>
5-methyluridine

> <FORMULA>
C10H14N2O6; C10H14N2O6

> <MASS>
258.22804

> <MONOISOTOPIC_MASS>
258.08519

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9-/m1/s1

> <INCHIKEY>
DWRXFEITVBNRMK-JXOAFFINSA-N

> <CAS_REGISTRY_NUMBER>
1463-10-1

> <REAXYS_REGISTRY_NUMBER>
90164

> <CHEMIDPLUS>
1463-10-1

> <ECMDB_ACCESSION>
ECMDB21389

> <METACYC_ACCESSION>
CPD-15123

> <WIKIPEDIA_ACCESSION>
5-methyluridine

> <PUBMED_CITATION>
1100617; 22325947; 22806868; 6725946

$$$$