Marvin  02070818182D          

 13 12  0  0  1  0            999 V2000
    1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1650    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2475    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1434    0.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  1  2  1  0  0  0  0
  9  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  1  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
 12  5  1  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <ID>
CHEBI:27951

> <NAME>
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid

> <DEFINITION>
A 2-oxo monocarboxylic acid that is 2-oxobutanoic acid which is substituted by a phosphonooxy group at position 4 and a hydroxy group at the 3-pro-R position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19731; CHEBI:1240

> <SYNONYM>
alpha-Keto-3-hydroxy-4-phosphobutyrate; 2-Oxo-3-hydroxy-4-phosphobutanoate; (3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate

> <IUPAC_NAME>
(3R)-3-hydroxy-2-oxo-4-(phosphonooxy)butanoic acid

> <FORMULA>
C4H7O8P

> <MASS>
214.06734

> <MONOISOTOPIC_MASS>
213.98785

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/t2-/m1/s1

> <INCHIKEY>
MZJFVXDTNBHTKZ-UWTATZPHSA-N

> <KEGG_COMPOUND_ACCESSION>
C06054

$$$$