(3R,4S)-3,4-dihydroxy-5-(methylsulfanyl)-1-(phosphonatooxy)pentan-2-one
  CDK    2/12/10,15:28

 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.1434   -0.1768    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2357    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13  1  1  0  0  0  0 
  1  2  1  0  0  0  0 
  4  3  1  0  0  0  0 
  8  4  2  0  0  0  0 
  5  4  1  0  0  0  0 
  5  9  1  1  0  0  0 
  2  6  1  0  0  0  0 
  6  5  1  0  0  0  0 
  6 10  1  6  0  0  0 
  7  3  1  0  0  0  0 
  7 14  1  0  0  0  0 
 11 14  2  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  CHG  1  12  -1
M  CHG  1  15  -1
M  END
> <ID>
CHEBI:58548

> <NAME>
S-methyl-5-thio-D-ribulose 1-phosphate(2-)

> <DEFINITION>
Dianion of S-methyl-5-thio-D-ribulose 1-phosphate.

> <STAR>
3

> <SYNONYM>
S-methyl-5-thio-D-ribulose 1-phosphate

> <IUPAC_NAME>
5-S-methyl-1-O-phosphonato-5-thio-D-ribulose

> <FORMULA>
C6H11O7PS

> <MASS>
258.18600

> <MONOISOTOPIC_MASS>
257.99631

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)/p-2/t5-,6+/m1/s1

> <INCHIKEY>
CNSJRYUMVMWNMC-RITPCOANSA-L

> <BEILSTEIN_REGISTRY_NUMBER>
11409869

$$$$