(3R,4R,5S)-3,4,5-trihydroxy-1-(phosphonatooxy)hexan-2-one
  CDK    2/12/10,15:27

 15 14  0  0  0  0  0  0  0  0999 V2000
   -1.4289   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.2292    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.0082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.5958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2 13  2  0  0  0  0 
  2 15  1  0  0  0  0 
  3 10  1  6  0  0  0 
  3  4  1  0  0  0  0 
  4 11  1  1  0  0  0 
  4  5  1  0  0  0  0 
  5 14  1  1  0  0  0 
  3  6  1  0  0  0  0 
 12  6  2  0  0  0  0 
  1  7  1  0  0  0  0 
  7  6  1  0  0  0  0 
  2  8  1  0  0  0  0 
  5  9  1  0  0  0  0 
M  CHG  1   8  -1
M  CHG  1  15  -1
M  END
> <ID>
CHEBI:57846

> <NAME>
L-fuculose 1-phosphate(2-)

> <DEFINITION>
Dianion of L-fuculose 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
L-fuculose 1-phosphate dianio; L-fuculose 1-phosphate; 6-deoxy-1-O-phosphonato-L-tagatose

> <IUPAC_NAME>
6-deoxy-L-tagatose 1-phosphate; 6-deoxy-L-lyxo-hex-2-ulose 1-phosphate

> <FORMULA>
C6H11O8P

> <MASS>
242.12050

> <MONOISOTOPIC_MASS>
242.01915

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C6H13O8P/c1-3(7)5(9)6(10)4(8)2-14-15(11,12)13/h3,5-7,9-10H,2H2,1H3,(H2,11,12,13)/p-2/t3-,5+,6-/m0/s1

> <INCHIKEY>
KNYGWWDTPGSEPD-LFRDXLMFSA-L

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