Marvin  03051312102D          

 16 15  0  0  1  0            999 V2000
   11.4811   -6.5410    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7666   -6.9535    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1955   -6.9536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.9100   -6.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1955   -7.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9099   -5.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4811   -5.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7666   -7.7785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0522   -6.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3378   -6.9536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6244   -6.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3389   -6.5410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6233   -6.5412    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.9088   -6.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6233   -5.7162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6233   -7.3662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  1  0  0  0
  1  2  1  0  0  0  0
  2  9  1  0  0  0  0
  2  8  1  6  0  0  0
  3  1  1  0  0  0  0
  3  5  1  1  0  0  0
  3  4  1  0  0  0  0
  6  4  2  0  0  0  0
 11  4  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <ID>
CHEBI:15946

> <NAME>
keto-D-fructose 6-phosphate

> <DEFINITION>
The open chain form of D-fructose 6-phosphate.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:20935; CHEBI:42406; CHEBI:4124; CHEBI:12926

> <SYNONYM>
Neuberg ester; Fructose-6-phosphate; D-Fructose 6-phosphoric acid; D-Fructose 6-phosphate

> <IUPAC_NAME>
D-fructose 6-(dihydrogen phosphate)

> <FORMULA>
C6H13O9P

> <MASS>
260.13580

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6-/m1/s1

> <INCHIKEY>
GSXOAOHZAIYLCY-HSUXUTPPSA-N

> <CAS_REGISTRY_NUMBER>
643-13-0

> <REAXYS_REGISTRY_NUMBER>
1728993

> <CHEMIDPLUS>
643-13-0

> <DRUGBANK_ACCESSION>
DB04493

> <KEGG_COMPOUND_ACCESSION>
C00085

> <METACYC_ACCESSION>
CPD-15709

> <PDBECHEM_ACCESSION>
F6R

> <PUBMED_CITATION>
22833313; 24380627

$$$$