Marvin  08110813492D          

 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
    0.0000    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  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 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  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  3  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  6  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  END
> <ID>
CHEBI:29042

> <NAME>
alpha-D-glucose 1-phosphate

> <DEFINITION>
A D-glucopyranose 1-phosphate in which the anomeric centre has α-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12320; CHEBI:42623; CHEBI:10246; CHEBI:12970; CHEBI:21004

> <SYNONYM>
D-Glucose alpha-1-phosphate; D-Glucose 1-phosphate; Cori ester; ALPHA-D-GLUCOSE-1-PHOSPHATE; alpha-D-Glucose-1-phosphate; alpha-D-Glucose 1-phosphate; alpha-D-glucopyranosyl phosphate; 1-O-phosphono-alpha-D-glucopyranose

> <IUPAC_NAME>
alpha-D-glucopyranose 1-(dihydrogen phosphate)

> <FORMULA>
C6H13O9P

> <MASS>
260.13578

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H](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)/t2-,3-,4+,5-,6-/m1/s1

> <INCHIKEY>
HXXFSFRBOHSIMQ-VFUOTHLCSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
87853

> <CAS_REGISTRY_NUMBER>
59-56-3

> <REAXYS_REGISTRY_NUMBER>
87853

> <CHEMIDPLUS>
59-56-3

> <DRUGBANK_ACCESSION>
DB02843

> <KEGG_COMPOUND_ACCESSION>
C00103

> <KNAPSACK_ACCESSION>
C00007482

> <METACYC_ACCESSION>
GLC-1-P

> <PDBECHEM_ACCESSION>
G1P

> <WIKIPEDIA_ACCESSION>
Glucose-1-phosphate

> <PUBMED_CITATION>
12596851; 8948464

$$$$