Ketcher 06071708532D 1   1.00000     0.00000     0

 14 13  0     1  0            999 V2000
    4.1736   -2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0398   -2.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9058   -2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3077   -2.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -2.5892    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.6378   -2.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7718   -3.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0398   -3.5892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417   -2.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3077   -3.5892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0398   -1.5891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9058   -4.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1738   -4.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6378   -3.0892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  4  1  1  0     0  0
  5  6  2  0     0  0
  5  7  1  0     0  0
  3  5  1  0     0  0
  2  8  1  0     0  0
  4  9  1  0     0  0
  4 10  2  0     0  0
  2 11  1  1     0  0
  8 12  1  0     0  0
  8 13  2  0     0  0
  5 14  1  0     0  0
M  END
> <ID>
CHEBI:137343

> <NAME>
(R)-2-(phosphonomethyl)malic acid

> <DEFINITION>
A dicarboxylic acid that is succinic acid in which the methylene hydrogens at position 2 have been replaced by phosphonomethyl and hydroxy groups (the R-enantiomer).

> <STAR>
3

> <IUPAC_NAME>
(2R)-2-hydroxy-2-(phosphonomethyl)butanedioic acid

> <FORMULA>
C5H9O8P

> <MASS>
228.094

> <MONOISOTOPIC_MASS>
228.00350

> <CHARGE>
0

> <SMILES>
C([C@](CP(=O)(O)O)(C(O)=O)O)C(O)=O

> <INCHI>
InChI=1S/C5H9O8P/c6-3(7)1-5(10,4(8)9)2-14(11,12)13/h10H,1-2H2,(H,6,7)(H,8,9)(H2,11,12,13)/t5-/m0/s1

> <INCHIKEY>
PHYKLCHCKYTLRX-YFKPBYRVSA-N

> <METACYC_ACCESSION>
CPD-15963

> <PUBMED_CITATION>
3781934

$$$$