Marvin  12050523012D          

  8  7  0  0  0  0            999 V2000
   -0.3570   -0.5149    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3570    0.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1820   -0.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4680   -0.5149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3570   -1.3399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    0.3101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    1.5476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
M  END
> <ID>
CHEBI:15732

> <NAME>
phosphonoacetic acid

> <DEFINITION>
A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44900; CHEBI:8156; CHEBI:14824; CHEBI:26071

> <SYNONYM>
Phosphonoacetic acid; phosphonoacetic acid; Phosphonoacetate; Fosfonet

> <IUPAC_NAME>
phosphonoacetic acid

> <FORMULA>
C2H5O5P

> <MASS>
140.03186

> <MONOISOTOPIC_MASS>
139.98746

> <CHARGE>
0

> <SMILES>
OC(=O)CP(O)(O)=O

> <INCHI>
InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)

> <INCHIKEY>
XUYJLQHKOGNDPB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4408-78-0

> <REAXYS_REGISTRY_NUMBER>
1764355

> <CHEMIDPLUS>
4408-78-0

> <DRUGBANK_ACCESSION>
DB02823

> <KEGG_COMPOUND_ACCESSION>
C05682

> <PDBECHEM_ACCESSION>
PAE

> <PUBMED_CITATION>
16282466; 24335308; 24570323

$$$$