Ketcher 06161717112D 1   1.00000     0.00000     0

 13 12  0     1  0            999 V2000
    9.3867   -4.2773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6547   -4.2773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206   -4.7773    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206   -3.7773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5206   -5.7773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8509   -4.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9849   -4.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1189   -4.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2528   -4.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7170   -4.7770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8509   -3.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9849   -5.7772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1189   -3.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  3  1  1  0     0  0
 11  6  2  0     0  0
  7  6  1  0     0  0
  7 12  1  1     0  0
  8  7  1  0     0  0
  8 13  2  0     0  0
  8  9  1  0     0  0
 10  6  1  0     0  0
  9  1  1  0     0  0
M  CHG  3   2  -1   4  -1  10  -1
M  END
> <ID>
CHEBI:136592

> <NAME>
(S)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate(3-)

> <DEFINITION>
A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phosphate OH groups of (S)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
3-dehydro-4-O-phospho-L-erythronate

> <IUPAC_NAME>
(2S)-2-hydroxy-3-oxo-4-(phosphonatooxy)butanoate

> <FORMULA>
C4H4O8P

> <MASS>
211.044

> <MONOISOTOPIC_MASS>
210.96602

> <CHARGE>
-3

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

> <INCHI>
InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h3,6H,1H2,(H,7,8)(H2,9,10,11)/p-3/t3-/m0/s1

> <INCHIKEY>
SMTGVDDLBJESIT-VKHMYHEASA-K

> <METACYC_ACCESSION>
CPD-19880

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