Marvin  11011012032D          

 17 17  0  0  0  0            999 V2000
   11.5817    3.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5817    4.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0107    4.3971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2962    3.1596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0107    3.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2962    4.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7251    4.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4396    4.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8673    3.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8673    4.8096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1541    5.6346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8686    4.3971    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.2962    5.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5817    6.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0107    6.0471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1541    4.8096    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.1541    3.9846    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  1  2  2  0  0  0  0
 10  2  1  0  0  0  0
  7  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  4  2  0  0  0  0
  2  6  1  0  0  0  0
  6  3  2  0  0  0  0
 13  6  1  0  0  0  0
  8  7  1  0  0  0  0
 16  8  1  0  0  0  0
 11 16  2  0  0  0  0
 12 16  1  0  0  0  0
 14 13  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  2  12  -1  17  -1
M  END
> <ID>
CHEBI:597326

> <NAME>
pyridoxal 5'-phosphate(2-)

> <DEFINITION>
The dianion resulting from the removal of two protons from the phosphate group of pyridoxal 5'-phosphate.

> <STAR>
3

> <SYNONYM>
pyridoxal 5'-phosphate dianion; pyridoxal 5'-phosphate; 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate(2-); 3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate dianion

> <IUPAC_NAME>
(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl phosphate

> <FORMULA>
C8H8NO6P

> <MASS>
245.12600

> <MONOISOTOPIC_MASS>
245.01002

> <CHARGE>
-2

> <SMILES>
[H]C(=O)c1c(COP([O-])([O-])=O)cnc(C)c1O

> <INCHI>
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)/p-2

> <INCHIKEY>
NGVDGCNFYWLIFO-UHFFFAOYSA-L

> <PUBMED_CITATION>
19144516

$$$$