Ketcher 04111614302D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
   10.4409   -3.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3070   -4.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1730   -3.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   -4.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0390   -4.4051    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.9050   -3.9051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0390   -5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3070   -5.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7089   -3.9051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750   -5.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3070   -3.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1730   -5.9051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4410   -5.9051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9050   -4.9051    0.0000 H   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  0     0  0
  8 12  1  0     0  0
  8 13  2  0     0  0
  5 14  1  0     0  0
M  END
> <ID>
CHEBI:81403

> <NAME>
2-phosphinomethylmalic acid

> <DEFINITION>
A 2-hydroxydicarboxylic acid that is malic acid carrying an additional phosphinomethyl substituent at position 2.

> <STAR>
3

> <IUPAC_NAME>
2-hydroxy-2-{[oxido(oxo)-lambda(5)-phosphanyl]methyl}butanedioic acid

> <FORMULA>
C5H9O7P

> <MASS>
212.095

> <MONOISOTOPIC_MASS>
212.00859

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H9O7P/c6-3(7)1-5(10,4(8)9)2-13(11)12/h10,13H,1-2H2,(H,6,7)(H,8,9)(H,11,12)

> <INCHIKEY>
ZKRDXWTUWPUWEG-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
95114-79-7

> <CHEMIDPLUS>
95114-79-7

> <KEGG_COMPOUND_ACCESSION>
C17947

> <METACYC_ACCESSION>
CPD-11742

> <PUBMED_CITATION>
1368511; 3170341; 6096343

$$$$