Marvin  03250822452D          

 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
    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 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
 11  1  1  0  0  0  0
  2  1  2  0  0  0  0
  7  2  1  0  0  0  0
  4  2  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
 10  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  6  2  0  0  0  0
  9  6  1  0  0  0  0
  8  7  1  0  0  0  0
 15  8  1  0  0  0  0
 12 11  1  0  0  0  0
 13 15  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:28803

> <NAME>
pyridoxine 5'-phosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45202; CHEBI:8672; CHEBI:26430

> <SYNONYM>
pyridoxyl-5-phosphate; pyridoxol 5-phosphate; Pyridoxol 5'-phosphate; PYRIDOXINE-5'-PHOSPHATE; Pyridoxine phosphate; Pyridoxine 5-phosphate; Pyridoxine 5'-phosphate; pyridoxine 5'-(dihydrogen phosphate)

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

> <FORMULA>
C8H12NO6P

> <MASS>
249.15778

> <MONOISOTOPIC_MASS>
249.04022

> <CHARGE>
0

> <SMILES>
Cc1ncc(COP(O)(O)=O)c(CO)c1O

> <INCHI>
InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)

> <INCHIKEY>
WHOMFKWHIQZTHY-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
233737

> <CAS_REGISTRY_NUMBER>
447-05-2

> <DRUGBANK_ACCESSION>
DB02209

> <KEGG_COMPOUND_ACCESSION>
C00627

> <KNAPSACK_ACCESSION>
C00007505

> <PDBECHEM_ACCESSION>
PXP

$$$$