Mrv0541 04141414332D          

  6  5  0  0  0  0            999 V2000
    4.6526   -1.4516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6526   -2.2720    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -2.2720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3683   -2.6850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9478   -2.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8595   -3.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  1  2  0  0  0  0
  2  5  1  0  0  0  0
  5  3  1  0  0  0  0
  2  6  1  0  0  0  0
M  END
> <ID>
CHEBI:28812

> <NAME>
(aminomethyl)phosphonic acid

> <DEFINITION>
A member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:2358; CHEBI:22515

> <SYNONYM>
AMPA; AMPA; 1-Aminomethylphosphonic acid

> <IUPAC_NAME>
(aminomethyl)phosphonic acid

> <FORMULA>
CH6NO3P

> <MASS>
111.03700

> <MONOISOTOPIC_MASS>
111.00853

> <CHARGE>
0

> <SMILES>
NCP(O)(O)=O

> <INCHI>
InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)

> <INCHIKEY>
MGRVRXRGTBOSHW-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1701219

> <CAS_REGISTRY_NUMBER>
1066-51-9

> <GMELIN_REGISTRY_NUMBER>
793599

> <REAXYS_REGISTRY_NUMBER>
1701219

> <CHEMIDPLUS>
1066-51-9

> <DRUGBANK_ACCESSION>
DB02057

> <KEGG_COMPOUND_ACCESSION>
C11033

> <METACYC_ACCESSION>
CPD0-1074

> <WIKIPEDIA_ACCESSION>
Aminomethylphosphonic_acid

> <PUBMED_CITATION>
15291487; 15950343

$$$$