Marvin  02070815032D          

 15 15  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -0.4849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4521   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0652   -0.7820    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8498   -0.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8974   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8974   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521   -0.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810   -0.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -0.6425    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.1665    0.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  2  1  0  0  0  0
  9  2  1  0  0  0  0
  2 11  1  6  0  0  0
  3  7  1  0  0  0  0
  3  4  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  7  8  1  6  0  0  0
  9 10  1  6  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:27859

> <NAME>
S-methyl-5-thio-alpha-D-ribose 1-phosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12770; CHEBI:30310; CHEBI:2102; CHEBI:12767; CHEBI:12769; CHEBI:20614; CHEBI:20616; CHEBI:30309; CHEBI:30311

> <SYNONYM>
S-Methyl-5-thio-D-ribose 1-phosphate; S-Methyl-5-thio-alpha-D-ribose 1-phosphate; S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate; 5-S-methyl-1-O-phosphono-5-thio-alpha-D-ribofuranose

> <IUPAC_NAME>
5-S-methyl-5-thio-alpha-D-ribofuranose 1-(dihydrogen phosphate)

> <FORMULA>
C6H13O7PS

> <MASS>
260.20298

> <MONOISOTOPIC_MASS>
260.01196

> <CHARGE>
0

> <SMILES>
CSC[C@H]1O[C@H](OP(O)(O)=O)[C@H](O)[C@@H]1O

> <INCHI>
InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3-,4-,5-,6-/m1/s1

> <INCHIKEY>
JTFITTQBRJDSTL-KVTDHHQDSA-N

> <KEGG_COMPOUND_ACCESSION>
C04188

$$$$