Marvin  04240810102D          

 16 15  0  0  1  0            999 V2000
    1.4289   -0.2357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.1768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    0.1768    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.8578   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.2356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1435   -0.6481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  1  0  0  0
  1  2  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  6  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  6 12  1  6  0  0  0
  7  3  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:47947

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

> <DEFINITION>
A D-tagatose 6-phosphate that is in the open-chain keto-form.

> <STAR>
3

> <SYNONYM>
keto-D-tagatose 6-(dihydrogen phosphate); keto-D-lyxo-hex-2-ulose 6-(dihydrogen phosphate); D-Tagatose 6-phosphate; D-lyxo-hex-2-ulose 6-phosphate; D-lyxo-hex-2-ulose 6-(dihydrogen phosphate); (2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexyl dihydrogen phosphate

> <IUPAC_NAME>
D-tagatose 6-(dihydrogen phosphate); 6-O-phosphono-D-tagatose

> <FORMULA>
C6H13O9P

> <MASS>
260.13578

> <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-PBXRRBTRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1728992

> <CAS_REGISTRY_NUMBER>
73544-42-0

> <REAXYS_REGISTRY_NUMBER>
1728992

> <KNAPSACK_ACCESSION>
C00019683

> <METACYC_ACCESSION>
CPD-15826

> <PUBMED_CITATION>
26472925; 27050126; 2987258; 6251066; 6269638; 7410391

$$$$