Marvin  02270714032D          

 20 20  0  0  1  0            999 V2000
    0.0000   -1.3349    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7846   -1.0800    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7846   -0.2550    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2549   -2.1195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4521   -1.5649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4521    0.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   -1.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849   -0.6675    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2057   -0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6346   -0.1056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9202   -0.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9202    0.3069    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9202    1.1319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139   -0.6675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   -0.2550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    1.3950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9139    0.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    0.5700    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.4849    0.9825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  9  6  1  0  0  0  0
  1  4  1  1  0  0  0
  1  2  1  0  0  0  0
  2  5  1  6  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  1  0  0  0
  7 10  1  0  0  0  0
  9  8  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  1  0  0  0
 10 13  1  0  0  0  0
 13 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  2  0  0  0  0
 16 19  1  0  0  0  0
 19 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:28602

> <NAME>
beta-D-fructofuranose 2,6-bisphosphate

> <DEFINITION>
A D-fructofuranose 2,6-bisphosphate with a β-configuration at the anomeric centre.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42586; CHEBI:12351; CHEBI:4122; CHEBI:20933

> <SYNONYM>
D-Fructose 2,6-bisphosphate; D-Fructose 2,6-bisphosphate; 2,6-di-O-phosphono-beta-D-fructofuranose

> <IUPAC_NAME>
beta-D-fructofuranose 2,6-bis(dihydrogen phosphate)

> <FORMULA>
C6H14O12P2

> <MASS>
340.11568

> <MONOISOTOPIC_MASS>
339.99605

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6+/m1/s1

> <INCHIKEY>
YXWOAJXNVLXPMU-ZXXMMSQZSA-N

> <CAS_REGISTRY_NUMBER>
79082-92-1

> <REAXYS_REGISTRY_NUMBER>
15436010

> <CHEMIDPLUS>
79082-92-1

> <KEGG_COMPOUND_ACCESSION>
C00665

> <KNAPSACK_ACCESSION>
C00007441

> <PDBECHEM_ACCESSION>
FDP

> <WIKIPEDIA_ACCESSION>
Fructose_2,6-bisphosphate

$$$$