(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl phosphate
  CDK    2/12/10,15:26

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  1  0  0  0 
  2  1  1  0  0  0  0 
  3  2  1  0  0  0  0 
  3 12  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  7  1  6  0  0  0 
  4  5  1  0  0  0  0 
  5  8  1  1  0  0  0 
  5  6  1  0  0  0  0 
  1  6  1  0  0  0  0 
  6  9  1  6  0  0  0 
 10 11  1  0  0  0  0 
 15 12  1  0  0  0  0 
 13 15  2  0  0  0  0 
 15 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
M  CHG  1  14  -1
M  CHG  1  16  -1
M  END
> <ID>
CHEBI:57629

> <NAME>
D-glucopyranose 1-phosphate(2-)

> <DEFINITION>
An organophosphate oxoanion that is the dianion of D-glucopyranose 1-phosphate arising from deprotonation of both phosphate OH groups.

> <STAR>
3

> <SYNONYM>
D-glucopyranose 1-phosphate dianion; D-glucopyranose 1-phosphate anion; D-glucopyranose 1-phosphate; 1-O-phosphonato-D-glucopyranose

> <IUPAC_NAME>
D-glucopyranose 1-phosphate

> <FORMULA>
C6H11O9P

> <MASS>
258.11990

> <MONOISOTOPIC_MASS>
258.01407

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/p-2/t2-,3-,4+,5-,6?/m1/s1

> <INCHIKEY>
HXXFSFRBOHSIMQ-GASJEMHNSA-L

> <BEILSTEIN_REGISTRY_NUMBER>
4757524

> <GMELIN_REGISTRY_NUMBER>
1146554

> <REAXYS_REGISTRY_NUMBER>
4757524

$$$$