[4-(azaniumylmethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl phosphate
  CDK    2/12/10,15:28

 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 15  1  1  0  0  0  0 
  1  2  2  0  0  0  0 
  7  2  1  0  0  0  0 
  3  4  2  0  0  0  0 
  2  4  1  0  0  0  0 
  5  1  1  0  0  0  0 
 10  5  1  0  0  0  0 
  6  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  9  6  1  0  0  0  0 
  8  7  1  0  0  0  0 
 13  8  1  0  0  0  0 
 11 13  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
M  CHG  1  12  -1
M  CHG  1  14  -1
M  CHG  1  16   1
M  END
> <ID>
CHEBI:58451

> <NAME>
pyridoxamine 5'-phosphate(1-)

> <DEFINITION>
An organophosphate oxoanion that is the conjugate base of pyridoxamine 5'-phosphate.

> <STAR>
3

> <SYNONYM>
pyridoxamine 5'-phosphate anion; pyridoxamine 5'-phosphate

> <IUPAC_NAME>
[4-(ammoniomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl phosphate

> <FORMULA>
C8H12N2O5P

> <MASS>
247.16500

> <MONOISOTOPIC_MASS>
247.04893

> <CHARGE>
-1

> <SMILES>
Cc1ncc(COP([O-])([O-])=O)c(C[NH3+])c1O

> <INCHI>
InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)/p-1

> <INCHIKEY>
ZMJGSOSNSPKHNH-UHFFFAOYSA-M

$$$$