Marvin  12050710182D          

 16 16  0  0  1  0            999 V2000
   -0.5678   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2169   -0.6674    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5678    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2169    0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7018    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4717   -1.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352   -0.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2351    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4163   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1308    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4162    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9886    0.5620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4175    0.5621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7032    0.1495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031    0.9745    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.7030    1.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  1  0  0  0
  2  1  1  0  0  0  0
  2  6  1  1  0  0  0
  1  3  1  0  0  0  0
  3  8  1  1  0  0  0
  3  4  1  0  0  0  0
  5  2  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  1  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 12 15  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <ID>
CHEBI:45804

> <NAME>
beta-D-tagatofuranose 6-phosphate

> <DEFINITION>
A D-tagatofuranose 6-phosphate with a β-configuration at the anomeric position.

> <STAR>
3

> <SYNONYM>
TAGATOSE-6-PHOSPHATE; 6-O-phosphono-beta-D-tagatofuranose

> <IUPAC_NAME>
beta-D-tagatofuranose 6-(dihydrogen phosphate)

> <FORMULA>
C6H13O9P

> <MASS>
260.13578

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6-/m1/s1

> <INCHIKEY>
BGWGXPAPYGQALX-DPYQTVNSSA-N

> <PDBECHEM_ACCESSION>
TA6

$$$$