Marvin  02100613452D          

 11 10  0  0  0  0            999 V2000
   -3.8395    2.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5539    1.5937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1250    1.5937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1250    0.7687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6961    1.5937    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6961    0.7687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4105    2.0062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4105    2.8312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9816    2.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2671    1.5937    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4474    2.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  5  1  0  0  0  0
  5  9  1  0  0  0  0
  1  2  2  0  0  0  0
  3  4  1  1  0  0  0
  5  6  1  1  0  0  0
  7  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:16895

> <NAME>
S-methyl-5-thio-D-ribose

> <DEFINITION>
D-ribose with the hydroxy group substituted for a methylthio group at position C-5.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12148; CHEBI:2101; CHEBI:22007; CHEBI:57941

> <SYNONYM>
S-Methyl-5-thio-D-ribose; S(5)-methyl-5-thio-D-ribose; aldehydo S-methyl-5-thio-D-ribose; 5-Methylthioribose; 5-Methylthio-D-ribose; 5-Deoxy-5-(methylthio)ribose

> <IUPAC_NAME>
5-S-methyl-5-thio-D-ribose

> <FORMULA>
C6H12O4S; C6H12O4S

> <MASS>
180.22200

> <MONOISOTOPIC_MASS>
180.04563

> <CHARGE>
0

> <SMILES>
CSC[C@@H](O)[C@@H](O)[C@@H](O)C=O

> <INCHI>
InChI=1S/C6H12O4S/c1-11-3-5(9)6(10)4(8)2-7/h2,4-6,8-10H,3H2,1H3/t4-,5+,6-/m0/s1

> <INCHIKEY>
ACWASDPGAVYCNI-JKUQZMGJSA-N

> <CAS_REGISTRY_NUMBER>
23656-67-9

> <REAXYS_REGISTRY_NUMBER>
1723722

> <CHEMIDPLUS>
23656-67-9

> <METACYC_ACCESSION>
CPD-560

> <PUBMED_CITATION>
22770225

$$$$