(3S,4R)-3,4-dihydroxy-5-(phosphonatooxy)pentan-2-one
  CDK    2/12/10,15:27

 13 12  0  0  0  0  0  0  0  0999 V2000
    6.6810   -4.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4263   -3.6413    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.4198   -4.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5387   -3.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8391   -4.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3951   -3.6535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3218   -3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4263   -2.7468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9669   -3.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2674   -4.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9377   -2.8665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2819   -4.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241   -2.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0 
  6  2  1  0  0  0  0 
  7  2  1  0  0  0  0 
  8  2  1  0  0  0  0 
  1  6  1  0  0  0  0 
  9  1  1  0  0  0  0 
 10  9  1  0  0  0  0 
  9 11  1  6  0  0  0 
  4 10  1  0  0  0  0 
 10 12  1  6  0  0  0 
  5  4  1  0  0  0  0 
 13  4  2  0  0  0  0 
M  CHG  1   7  -1
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:57792

> <NAME>
1-deoxy-D-xylulose 5-phosphate(2-)

> <DEFINITION>
Dianion of 1-deoxy-D-xylulose 5-phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
1-deoxy-D-xylulose 5-phosphate dianion; 1-deoxy-D-xylulose 5-phosphate; 1-deoxy-5-O-phosphonato-D-xylulose

> <IUPAC_NAME>
1-deoxy-D-xylulose 5-phosphate

> <FORMULA>
C5H9O7P

> <MASS>
212.09450

> <MONOISOTOPIC_MASS>
212.00859

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)/p-2/t4-,5-/m1/s1

> <INCHIKEY>
AJPADPZSRRUGHI-RFZPGFLSSA-L

> <BEILSTEIN_REGISTRY_NUMBER>
11127452

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