Marvin  03250822582D          

 16 16  0  0  0  0            999 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  3  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  END
> <ID>
CHEBI:18335

> <NAME>
pyridoxamine 5'-phosphate

> <DEFINITION>
A vitamin B6 phosphate that is the  phosphoric ester derivative of pyridoxamine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:26427; CHEBI:45037; CHEBI:14979; CHEBI:8670; CHEBI:14980

> <SYNONYM>
Pyridoxamine phosphate; Pyridoxamine 5-phosphoric acid; Pyridoxamine 5-phosphate; Pyridoxamine 5'-phosphoric acid; Pyridoxamine 5'-phosphate; pyridoxamine 5'-(dihydrogen phosphate); 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE

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

> <FORMULA>
C8H13N2O5P

> <MASS>
248.17306

> <MONOISOTOPIC_MASS>
248.05621

> <CHARGE>
0

> <SMILES>
Cc1ncc(COP(O)(O)=O)c(CN)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)

> <INCHIKEY>
ZMJGSOSNSPKHNH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
529-96-4

> <REAXYS_REGISTRY_NUMBER>
233653

> <CHEMIDPLUS>
529-96-4

> <KEGG_COMPOUND_ACCESSION>
C00647

> <KNAPSACK_ACCESSION>
C00007506

> <PDBECHEM_ACCESSION>
PMP

> <PUBMED_CITATION>
1783639; 18491919; 22445054; 2580028

$$$$