Marvin  11260714572D          

 16 16  0  0  1  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  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
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  1  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 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
   -2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  6  0  0  0
  2  1  1  0  0  0  0
  2  7  1  1  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  4  9  1  1  0  0  0
  5  3  1  0  0  0  0
  5 11  1  1  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
  6 10  1  6  0  0  0
 12 11  1  0  0  0  0
 12 15  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:17719

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

> <DEFINITION>
A D-glucopyranose 6-phosphate in which the anomeric centre has β-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42755; CHEBI:41041; CHEBI:10399; CHEBI:12375; CHEBI:22797

> <SYNONYM>
BETA-D-GLUCOSE-6-PHOSPHATE; beta-D-Glucose 6-phosphic acid; beta-D-Glucose 6-phosphate; beta-D-glucose 6-(dihydrogen phosphate); 6-O-phosphono-beta-D-glucopyranose; 6-H2PO3Glcbeta

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

> <FORMULA>
C6H13O9P

> <MASS>
260.13578

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

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

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

> <INCHIKEY>
NBSCHQHZLSJFNQ-VFUOTHLCSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1914853

> <REAXYS_REGISTRY_NUMBER>
1914853

> <DRUGBANK_ACCESSION>
DB04122

> <KEGG_COMPOUND_ACCESSION>
C01172

> <METACYC_ACCESSION>
GLC-6-P

> <PDBECHEM_ACCESSION>
BG6

> <PUBMED_CITATION>
19443021; 31537530

$$$$