Ketcher 10161516522D 1   1.00000     0.00000     0

 15 15  0     1  0            999 V2000
   12.8576   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8576   -2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9916   -1.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9916   -3.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1255   -2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1255   -3.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7236   -1.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7236   -3.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9916   -4.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2596   -3.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2596   -1.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5275   -1.8335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3936   -2.3335    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8935   -3.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8935   -3.1996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  6     0  0
  2  1  1  0     0  0
  2  7  2  0     0  0
  2  3  1  0     0  0
  1  4  1  0     0  0
  4  9  1  1     0  0
  3  5  1  0     0  0
  5 11  1  1     0  0
  4  6  1  0     0  0
  5  6  1  0     0  0
  6 10  1  6     0  0
 13 11  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 15 13  2  0     0  0
M  END
> <ID>
CHEBI:88250

> <NAME>
6-deoxy-6-sulfoglucono-1,5-lactone

> <DEFINITION>
A carbohydrate sulfonate that is D-glucono-1,5-lactone in which the 6-hydroxy group is replaced by a sulfo group.

> <STAR>
3

> <SYNONYM>
[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methanesulfonic acid

> <FORMULA>
C6H10O8S

> <MASS>
242.205

> <MONOISOTOPIC_MASS>
242.00964

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H10O8S/c7-3-2(1-15(11,12)13)14-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H,11,12,13)/t2-,3-,4+,5-/m1/s1

> <INCHIKEY>
YOMAOVCVRGQULE-SQOUGZDYSA-N

> <METACYC_ACCESSION>
CPD-18481

> <PUBMED_CITATION>
26195800

$$$$