MiMeDB: Showing metabocard for Pyridoxamine 5'-phosphate (MMDBc0029671)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:36:54 UTC

Update Date

2022-08-31 17:11:33 UTC

Metabolite ID

MMDBc0029671

Metabolite Identification

Common Name

Pyridoxamine 5'-phosphate

Description

Pyradoxamine 5' phosphate or Vitamin B6 is a water-soluble compound that was discovered in 1930s during nutrition studies on rats. The vitamin was named pyridoxine to indicate its structural homology to pyridine. Later it was shown that vitamin B6 could exist in two other, slightly different, chemical forms, termed pyridoxal and pyridoxamine. All three forms of vitamin B6 are precursors of an activated compound known as pyridoxal 5-phosphate (PLP), which plays a vital role as the cofactor of a large number of essential enzymes.Vitamin B6 is a water-soluble vitamin. The three major forms of vitamin B6 are pyridoxine (also known as pyridoxol), pyridoxal, and pyridoxamine, which are all converted in to pyridoxal 5-phosphate (PLP) a cofactor in many reactions of amino acid metabolism. PLP also is necessary for the enzymatic reaction governing the release of glucose from glycogen.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0001555
     RDKit          3D
Pyridoxamine 5'-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.7171   -1.6528    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -0.9865   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5604   -1.6473   -0.8186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566   -1.1901   -1.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340    0.0309   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254    0.4555   -0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9507   -0.7480    0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5904   -0.7607    0.0502 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3101    0.5248    0.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1344   -1.9260    1.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9798   -1.3218   -1.5495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8511    0.7545    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3825    2.0592    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013    3.0226   -0.1022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.2264    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610    0.8612    1.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2159   -1.1033    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450   -2.6851    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2767   -1.8760   -0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3205   -1.5986   -1.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289    1.3637   -0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390    0.2317   -1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1747   -2.8158    0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445   -1.6867   -1.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    2.3391    1.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    2.3354    0.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    2.4511   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060    3.6810   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7153    1.6618    1.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 15  2  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  6 21  1  0
  6 22  1  0
 10 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
 14 27  1  0
 14 28  1  0
 16 29  1  0
M  END


  Mrv1652307092020582D          

 16 16  0  0  0  0            999 V2000
 9999.625210000.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.910710000.4584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.196310000.8709    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9998.607710001.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.477710000.4563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.782710001.5845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6252 9999.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9066 9999.6360    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.0570 9998.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.4822 9999.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.054910000.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.340510000.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3405 9999.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.0549 9999.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.7694 9999.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.769410000.4585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  7  8  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 12  1  0  0  0  0
 13  7  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029671

> <DATABASE_NAME>
MIME

> <SMILES>
CC1=NC=C(COP(O)(O)=O)C(CN)=C1O

> <INCHI_IDENTIFIER>
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)

> <INCHI_KEY>
ZMJGSOSNSPKHNH-UHFFFAOYSA-N

> <FORMULA>
C8H13N2O5P

> <MOLECULAR_WEIGHT>
248.173

> <EXACT_MASS>
248.056208048

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
22.149163667314372

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-0.99

> <JCHEM_LOGP>
-2.2240254392379724

> <ALOGPS_LOGS>
-1.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
6.741483417681486

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7417589844386874

> <JCHEM_PKA_STRONGEST_BASIC>
9.905510964077699

> <JCHEM_POLAR_SURFACE_AREA>
125.9

> <JCHEM_REFRACTIVITY>
56.63570000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.61e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pyridoxamine-5'-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001555
     RDKit          3D
Pyridoxamine 5'-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.7171   -1.6528    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -0.9865   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5604   -1.6473   -0.8186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566   -1.1901   -1.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340    0.0309   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254    0.4555   -0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9507   -0.7480    0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5904   -0.7607    0.0502 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3101    0.5248    0.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1344   -1.9260    1.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9798   -1.3218   -1.5495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8511    0.7545    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3825    2.0592    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013    3.0226   -0.1022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.2264    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610    0.8612    1.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2159   -1.1033    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450   -2.6851    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2767   -1.8760   -0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3205   -1.5986   -1.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289    1.3637   -0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390    0.2317   -1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1747   -2.8158    0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445   -1.6867   -1.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    2.3391    1.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    2.3354    0.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    2.4511   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060    3.6810   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7153    1.6618    1.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 15  2  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  6 21  1  0
  6 22  1  0
 10 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
 14 27  1  0
 14 28  1  0
 16 29  1  0
M  END

HEADER    PROTEIN                                 09-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-JUL-20         0                                  
HETATM    1  C   UNK     0    8665.9678668.292   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8664.6338667.522   0.000  0.00  0.00           O+0
HETATM    3  P   UNK     0    8663.3008668.292   0.000  0.00  0.00           P+0
HETATM    4  O   UNK     0    8664.0688669.624   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8661.9588667.518   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8662.5288669.624   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8665.9678665.211   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0    8664.6268665.987   0.000  0.00  0.00           N+0
HETATM    9  O   UNK     0    8668.6408663.671   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0    8671.3008665.211   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8668.6368668.293   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8667.3028667.523   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8667.3028665.982   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8668.6368665.212   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8669.9708665.982   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0    8669.9708667.523   0.000  0.00  0.00           N+0
CONECT    1    2   12                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3                                                            
CONECT    7    8   13                                                       
CONECT    8    7                                                            
CONECT    9   14                                                            
CONECT   10   15                                                            
CONECT   11   12   16                                                       
CONECT   12   11   13    1                                                  
CONECT   13   12   14    7                                                  
CONECT   14   13   15    9                                                  
CONECT   15   14   16   10                                                  
CONECT   16   15   11                                                       
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0001555
HETATM    1  C1  UNL     1      -3.717  -1.653   0.292  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.401  -0.987  -0.009  1.00  0.00           C  
HETATM    3  N1  UNL     1      -1.560  -1.647  -0.819  1.00  0.00           N  
HETATM    4  C3  UNL     1      -0.357  -1.190  -1.099  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.034   0.031  -0.505  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.425   0.455  -0.603  1.00  0.00           C  
HETATM    7  O1  UNL     1       1.951  -0.748   0.057  1.00  0.00           O  
HETATM    8  P1  UNL     1       3.590  -0.761   0.050  1.00  0.00           P  
HETATM    9  O2  UNL     1       4.310   0.525   0.246  1.00  0.00           O  
HETATM   10  O3  UNL     1       4.134  -1.926   1.180  1.00  0.00           O  
HETATM   11  O4  UNL     1       3.980  -1.322  -1.550  1.00  0.00           O  
HETATM   12  C6  UNL     1      -0.851   0.754   0.298  1.00  0.00           C  
HETATM   13  C7  UNL     1      -0.382   2.059   0.770  1.00  0.00           C  
HETATM   14  N2  UNL     1      -1.201   3.023  -0.102  1.00  0.00           N  
HETATM   15  C8  UNL     1      -2.071   0.226   0.575  1.00  0.00           C  
HETATM   16  O5  UNL     1      -2.961   0.861   1.423  1.00  0.00           O  
HETATM   17  H1  UNL     1      -4.216  -1.103   1.088  1.00  0.00           H  
HETATM   18  H2  UNL     1      -3.445  -2.685   0.712  1.00  0.00           H  
HETATM   19  H3  UNL     1      -4.277  -1.876  -0.619  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.320  -1.599  -1.796  1.00  0.00           H  
HETATM   21  H5  UNL     1       1.729   1.364  -0.223  1.00  0.00           H  
HETATM   22  H6  UNL     1       1.739   0.232  -1.678  1.00  0.00           H  
HETATM   23  H7  UNL     1       4.175  -2.816   0.834  1.00  0.00           H  
HETATM   24  H8  UNL     1       4.844  -1.687  -1.588  1.00  0.00           H  
HETATM   25  H9  UNL     1      -0.912   2.339   1.750  1.00  0.00           H  
HETATM   26  H10 UNL     1       0.619   2.335   0.827  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.310   2.451  -1.024  1.00  0.00           H  
HETATM   28  H12 UNL     1      -0.406   3.681  -0.475  1.00  0.00           H  
HETATM   29  H13 UNL     1      -2.715   1.662   1.987  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3    3   15
CONECT    3    4
CONECT    4    5    5   20
CONECT    5    6   12
CONECT    6    7   21   22
CONECT    7    8
CONECT    8    9    9   10   11
CONECT   10   23
CONECT   11   24
CONECT   12   13   15   15
CONECT   13   14   25   26
CONECT   14   27   28
CONECT   15   16
CONECT   16   29
END

HMDB0001555
     RDKit          3D
Pyridoxamine 5'-phosphate
 29 29  0  0  0  0  0  0  0  0999 V2000
   -3.7171   -1.6528    0.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4014   -0.9865   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5604   -1.6473   -0.8186 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3566   -1.1901   -1.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0340    0.0309   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4254    0.4555   -0.6029 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9507   -0.7480    0.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5904   -0.7607    0.0502 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.3101    0.5248    0.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1344   -1.9260    1.1799 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9798   -1.3218   -1.5495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8511    0.7545    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3825    2.0592    0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2013    3.0226   -0.1022 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708    0.2264    0.5748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610    0.8612    1.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2159   -1.1033    1.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450   -2.6851    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2767   -1.8760   -0.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3205   -1.5986   -1.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289    1.3637   -0.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390    0.2317   -1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1747   -2.8158    0.8340 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8445   -1.6867   -1.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    2.3391    1.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    2.3354    0.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3098    2.4511   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4060    3.6810   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7153    1.6618    1.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 15  2  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  6 21  1  0
  6 22  1  0
 10 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
 14 27  1  0
 14 28  1  0
 16 29  1  0
M  END

Synonyms

Value	Source
4'-Deoxy-4'-aminopyridoxal-5'-phosphate	ChEBI
Pyridoxamine 5'-(dihydrogen phosphate)	ChEBI
Pyridoxamine 5'-phosphoric acid	ChEBI
Pyridoxamine 5-phosphate	ChEBI
Pyridoxamine 5-phosphoric acid	ChEBI
Pyridoxamine phosphate	ChEBI
4'-Deoxy-4'-aminopyridoxal-5'-phosphoric acid	Generator
Pyridoxamine 5'-(dihydrogen phosphoric acid)	Generator
Pyridoxamine phosphoric acid	Generator
Pyridoxamine-P	MeSH, HMDB
PMP	HMDB
Pyridoxamine 5'-phosphate	HMDB
Pyridoxamine 5’-phosphate	HMDB
4’-Deoxy-4’-aminopyridoxal-5’-phosphate	HMDB
4’-Deoxy-4’-aminopyridoxal-5’-phosphoric acid	HMDB

Molecular Formula

C₈H₁₃N₂O₅P

Average Mass

248.173

Monoisotopic Mass

248.056208048

IUPAC Name

{[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methoxy}phosphonic acid

Traditional Name

pyridoxamine-5'-phosphate

CAS Registry Number

529-96-4

SMILES

CC1=NC=C(COP(O)(O)=O)C(CN)=C1O

InChI Identifier

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)

InChI Key

ZMJGSOSNSPKHNH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyridoxamine 5'-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5'-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Pyridoxamines

Direct Parent

Pyridoxamine 5'-phosphates

Alternative Parents

Substituents

Pyridoxamine 5'-phosphate
Monoalkyl phosphate
Aralkylamine
Hydroxypyridine
Methylpyridine
Organic phosphoric acid derivative
Alkyl phosphate
Phosphoric acid ester
Heteroaromatic compound
Azacycle
Primary aliphatic amine
Hydrocarbon derivative
Amine
Primary amine
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

monohydroxypyridine (CHEBI:18335 )
methylpyridines (CHEBI:18335 )
aminoalkylpyridine (CHEBI:18335 )
vitamin B6 phosphate (CHEBI:18335 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	6.61 g/L	ALOGPS
logP	-0.99	ALOGPS
logP	-2.2	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	1.74	ChemAxon
pKa (Strongest Basic)	9.91	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.9 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	56.64 m³·mol⁻¹	ChemAxon
Polarizability	22.15 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9540000000-0747e0335474ec0d9563	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-006t-9163000000-e2b4a252a1b0d401376f	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0002-0090000000-475764d1b4ff6c463f91	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-001i-5390000000-825fef9f04e27485e868	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004i-9300000000-695db8e4ce16577ae441	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004i-9100000000-b6ae171abe36c54c4031	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004i-9000000000-a5aaa4d9b60dc24fd818	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-0002-0190000000-0eb0fd727d4bb1b2816f	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-001i-0590000000-2003e26a12279fef54dd	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-001i-1910000000-acfc81bd682a779ef9e5	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-053r-3900000000-262c33692f3c3bc194a2	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , positive	splash10-004i-9500000000-7d847cf14edccf6f5294	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT , positive	splash10-001i-0190000000-d1a5e6c1c22d70906b6c	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001j-0590000000-f2e78df6839a1a6c3c53	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0f89-0900000000-45ff9c035fa30cea77bf	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-2900000000-96d22fb2e9dd035fa2e5	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9080000000-908c35d20c168506f92c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9010000000-97480b70e97796d59101	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-c77bbc411daf4c046f20	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001j-0290000000-8ef287b4599ae8a2912d	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-0920000000-b0020ec751a9b36bcc17	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-0900000000-7721d9affd7d73f7020f	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002b-9010000000-569274c47ce9c516ff5e	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-ef724d5177083af378f0	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-a5e502a2627af2048a1f	2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum

Biological Properties

Cellular Locations

Mitochondria

Biospecimen Locations

Blood
Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192313	Pyridoxine-5'-phosphate oxidase	Unknown	Q9NVS9	Homo sapiens
MMDBp0192664	Pyridoxal kinase	Unknown	O00764	Homo sapiens
MMDBp0193940	Pyridoxal phosphate phosphatase	Unknown	Q96GD0	Homo sapiens
MMDBp0195556	Pyridoxal phosphate phosphatase PHOSPHO2	Unknown	Q8TCD6	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0001490	Water	Phosphate	Pyridoxal (pyridoxine, vitamin b6) phosphatase	Hypothetical Enyme	VMH; KEGG	30371894
MMDBr0002037	Water	Hydrogen peroxide	Not Available	Pyridoxamine 5'-Phosphate Oxidase	VMH	6380540
MMDBr0002038	Pyridoxamine 5'-phosphate	Pyridoxamine 5'-phosphate	Not Available	Pyridoxamine 5'-Phosphate Transport via Diffusion, Mitochondrial	VMH	6263901 7174673
MMDBr0007951	Adenosine triphosphate	ADP	Not Available	Pyridoxamine Kinase	VMH; KEGG	30371894
MMDBr0013466	Water	Hydrogen peroxide	Probable pyridoxamine 5'-phosphate oxidase	Oxidation	RHEA	34755880
MMDBr0014515	Adenosine triphosphate	ADP	Pyridoxine/pyridoxal/pyridoxamine kinase	Phosphorylation	RHEA	34755880
MMDBr0018457	Water	Hydrogen peroxide	Pyridoxine/pyridoxamine 5'-phosphate oxidase	Oxidation	PathBank	31602464
MMDBr0018458	Pyridoxamine	Pyridoxamine 5'-phosphate	Pyridoxine/pyridoxal/pyridoxamine kinase	Phosphorylation	PathBank	31602464
MMDBr0019958	Water	Hydrogen peroxide	Not Available		PathBank	31602464
MMDBr0019959	Pyridoxamine	Pyridoxamine 5'-phosphate	Not Available		PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	425	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Cattle ; River trout ; Turkey ; Sheep ; Dog	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	330	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Cattle ; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	154	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	114	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human supragingival plaque; Human subgingival plaque; Human gastric fluid; Human urine	Metabolic reconstruction
Bacteria	Spirochaetes	7	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Bacteria	Fusobacteria	9	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	3		Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	3	Human feces; Human saliva	Unknown
Bacteria	Cyanobacteria	12	Human
Bacteria	Deinococcus-thermus	3
Bacteria	nah	1
Bacteria/NULL	Proteobacteria	1	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Cattle ; River trout ; Turkey ; Sheep ; Dog	Unknown; Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Spirulina	FooDB	31437929
Animal		Lota lota	FooDB	31437929
Animal		Porphyra umbilicalis	FooDB	31437929
Animal		Chondrus crispus	FooDB	31437929
Animal	Milk	Bos taurus	FooDB	31437929
Animal		Laminaria	FooDB	31437929
Animal		Haliotis	FooDB	31437929
Animal		Strombidae	FooDB	31437929
Animal		Clupea harengus harengus	FooDB	31437929
Animal		Undaria pinnatifida	FooDB	31437929
Animal		Peprilus triacanthus	FooDB	31437929
Animal		Rhodophyta	FooDB	31437929
Animal		Myoxocephalus	FooDB	31437929
Animal		Eucheuma	FooDB	31437929
Animal		Saccharina japonica	FooDB	31437929
Plant		Castanea	FooDB	31437929
Plant		Rubus ursinus x idaeus	FooDB	31437929
Plant		Pleurotus ostreatus	FooDB	31437929
Plant		Cirsium	FooDB	31437929
Plant		Solanum melongena	FooDB	31437929
Plant		Opuntia	FooDB	31437929
Plant		Raphanus sativus var. sativus	FooDB	31437929
Plant		Colocasia esculenta	FooDB	31437929
Plant		Prunus persica var. persica	FooDB	31437929
Plant		Anthriscus cerefolium	FooDB	31437929
Plant		Nuphar lutea	FooDB	31437929
Plant		Lupinus albus	FooDB	31437929
Plant		Myristica fragrans	FooDB	31437929
Plant		Pachyrhizus erosus	FooDB	31437929
Plant		Cichorium endivia	FooDB	31437929
Plant		Apium graveolens	FooDB	31437929
Plant		Elaeis	FooDB	31437929
Plant		Cinnamomum	FooDB	31437929
Plant		Ribes uva-crispa	FooDB	31437929
Plant		Feijoa sellowiana	FooDB	31437929
Plant		Dysphania ambrosioides	FooDB	31437929
Plant		Raphanus sativus var. niger	FooDB	31437929
Plant		Photinia melanocarpa	FooDB	31437929
Plant		Salvia officinalis	FooDB	31437929
Plant		Rheum rhabarbarum	FooDB	31437929
Plant		Vaccinium	FooDB	31437929
Plant		Lablab purpureus	FooDB	31437929
Plant		Crocus sativus	FooDB	31437929
Plant		Citrus maxima	FooDB	31437929
Plant		Syzygium jambos	FooDB	31437929
Plant		Salix pulchra	FooDB	31437929
Plant		Castanea sativa	FooDB	31437929
Plant		Cydonia oblonga	FooDB	31437929
Plant		Annona muricata	FooDB	31437929
Plant		Fagus	FooDB	31437929
Plant		Cucurbita	FooDB	31437929
Plant		Opuntia cochenillifera	FooDB	31437929
Plant		Vaccinium ovatum	FooDB	31437929
Plant		Cocos nucifera	FooDB	31437929
Plant		Phaseolus coccineus	FooDB	31437929
Plant		Thymus pulegioides	FooDB	31437929
Plant		Tamarindus indica	FooDB	31437929
Plant		Mespilus germanica	FooDB	31437929
Plant		Brassica rapa var. perviridis	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Mentha aquatica	FooDB	31437929
Plant		Salvia elegans	FooDB	31437929
Plant		Mentha	FooDB	31437929
Plant		Sagittaria latifolia	FooDB	31437929
Plant		Solanum tuberosum	FooDB	31437929
Plant		Olea europaea	FooDB	31437929
Plant		Sambucus	FooDB	31437929
Plant		Pinus	FooDB	31437929
Plant		Psidium guajava	FooDB	31437929
Plant		Syzygium cumini	FooDB	31437929
Plant		Tilia tomentosa	FooDB	31437929
Plant		Typha angustifolia	FooDB	31437929
Plant		Daucus carota	FooDB	31437929
Plant		Empetrum nigrum	FooDB	31437929
Plant		Valerianella locusta	FooDB	31437929
Plant		Myrica rubra	FooDB	31437929
Plant		Vaccinium vitis-idaea	FooDB	31437929
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant		Sisymbrium	FooDB	31437929
Plant		Vanilla	FooDB	31437929
Plant		Carya	FooDB	31437929
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant		Physalis philadelphica var. immaculata	FooDB	31437929
Plant		Vigna radiata	FooDB	31437929
Plant		Borago officinalis	FooDB	31437929
Plant		Raphanus sativus	FooDB	31437929
Plant		Prunus dulcis	FooDB	31437929
Plant		Hyssopus officinalis	FooDB	31437929
Plant		Manihot esculenta	FooDB	31437929
Plant		Beta vulgaris ssp. cicla	FooDB	31437929
Plant		Scorzonera hispanica	FooDB	31437929
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant		Angelica keiskei	FooDB	31437929
Plant		Ipomoea aquatica	FooDB	31437929
Plant		Musa x paradisiaca	FooDB	31437929
Plant		Cuminum cyminum	FooDB	31437929
Plant		Rubus spectabilis	FooDB	31437929
Plant		Allium sativum	FooDB	31437929
Plant		Arachis hypogaea	FooDB	31437929
Plant		Rubus idaeus	FooDB	31437929
Plant		Cantharellus cibarius	FooDB	31437929
Plant		Sinapis alba	FooDB	31437929
Plant		Fragaria x ananassa	FooDB	31437929
Plant		Pyrus communis	FooDB	31437929
Plant		Brassica ruvo	FooDB	31437929
Plant		Apium graveolens var. secalinum	FooDB	31437929
Plant		Morus nigra	FooDB	31437929
Plant		Solanum lycopersicum	FooDB	31437929
Plant		Abelmoschus esculentus	FooDB	31437929
Plant		Moringa oleifera	FooDB	31437929
Plant		Pinus edulis	FooDB	31437929
Plant		Passiflora edulis	FooDB	31437929
Plant		Opuntia macrorhiza	FooDB	31437929
Plant		Vigna angularis	FooDB	31437929
Plant		Manilkara zapota	FooDB	31437929
Plant		Cucurbita pepo var. clypeata	FooDB	31437929
Plant		Helianthus annuus	FooDB	31437929
Plant		Mentha spicata	FooDB	31437929
Plant		Corylus	FooDB	31437929
Plant		Malus	FooDB	31437929
Plant		Pisum sativum	FooDB	31437929
Plant		Sambucus nigra	FooDB	31437929
Plant		Allium cepa	FooDB	31437929
Plant		Juglans	FooDB	31437929
Plant		Mangifera indica	FooDB	31437929
Plant		Petroselinum crispum	FooDB	31437929
Plant		Ribes nigrum	FooDB	31437929
Plant		Zingiber officinale	FooDB	31437929
Plant		Chamaemelum nobile	FooDB	31437929
Plant		Illicium verum	FooDB	31437929
Plant			FooDB	31437929
Plant		Laurus nobilis	FooDB	31437929
Plant		Auricularia auricula-judae	FooDB	31437929
Plant		Attalea speciosa	FooDB	31437929
Plant		Juglans ailanthifolia	FooDB	31437929
Plant		Melissa officinalis	FooDB	31437929
Plant		Hippophae rhamnoides	FooDB	31437929
Plant		Polygonum alpinum	FooDB	31437929
Plant		Brassica juncea	FooDB	31437929
Plant		Pediomelum esculentum	FooDB	31437929
Plant		Spinacia oleracea	FooDB	31437929
Plant		Auricularia polytricha	FooDB	31437929
Plant		Camellia oleifera	FooDB	31437929
Plant		Vaccinium corymbosum	FooDB	31437929
Plant		Chrysanthemum coronarium	FooDB	31437929
Plant		Eleocharis dulcis	FooDB	31437929
Plant		Thymus vulgaris	FooDB	31437929
Plant		Actinidia chinensis	FooDB	31437929
Plant		Carica papaya	FooDB	31437929
Plant		Pimenta dioica	FooDB	31437929
Plant		Medicago sativa	FooDB	31437929
Plant		Vigna mungo	FooDB	31437929
Plant		Rubus arcticus	FooDB	31437929
Plant		Agaricus bisporus	FooDB	31437929
Plant		Cajanus cajan	FooDB	31437929
Plant		Rumex articus	FooDB	31437929
Plant		Origanum majorana	FooDB	31437929
Plant		Armoracia rusticana	FooDB	31437929
Plant		Hibiscus sabdariffa	FooDB	31437929
Plant		Benincasa hispida	FooDB	31437929
Plant		Prunus persica	FooDB	31437929
Plant		Canarium ovatum	FooDB	31437929
Plant		Ribes aureum var. villosum	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Brassica oleracea var. gemmifera	FooDB	31437929
Plant		Foeniculum vulgare	FooDB	31437929
Plant		Phoenix dactylifera	FooDB	31437929
Plant		Vaccinium macrocarpon	FooDB	31437929
Plant			FooDB	31437929
Plant		Arctium lappa	FooDB	31437929
Plant		Brassica oleracea var. gongylodes	FooDB	31437929
Plant		Juglans cinerea	FooDB	31437929
Plant		Prunus cerasus	FooDB	31437929
Plant		Eruca vesicaria ssp. sativa	FooDB	31437929
Plant		Rosmarinus officinalis	FooDB	31437929
Plant		Artocarpus altilis	FooDB	31437929
Plant		Citrus x paradisi	FooDB	31437929
Plant		Vigna unguiculata	FooDB	31437929
Plant		Cynara scolymus	FooDB	31437929
Plant		Cyathea	FooDB	31437929
Plant		Metroxylon sagu	FooDB	31437929
Plant		Vitis rotundifolia	FooDB	31437929
Plant		Brosimum alicastrum	FooDB	31437929
Plant		Ficus carica	FooDB	31437929
Plant		Lentinus edodes	FooDB	31437929
Plant		Psidium cattleianum	FooDB	31437929
Plant		Beta vulgaris var. rubra	FooDB	31437929
Plant		Castanea mollissima	FooDB	31437929
Plant		Lepidium sativum	FooDB	31437929
Plant		Morus	FooDB	31437929
Plant		Helianthus tuberosus	FooDB	31437929
Plant		Phytolacca americana	FooDB	31437929
Plant		Grifola frondosa	FooDB	31437929
Plant		Vitis labrusca	FooDB	31437929
Plant		Tetragonia tetragonioides	FooDB	31437929
Plant		Artemisia vulgaris	FooDB	31437929
Plant		Cucumis metuliferus	FooDB	31437929
Plant		Nephelium lappaceum	FooDB	31437929
Plant		Myrica	FooDB	31437929
Plant			FooDB	31437929
Plant		Corylus avellana	FooDB	31437929
Plant		Castanea crenata	FooDB	31437929
Plant		Litchi chinensis	FooDB	31437929
Plant		Juglans regia	FooDB	31437929
Plant		Quercus	FooDB	31437929
Plant		Trigonella foenum-graecum	FooDB	31437929
Plant		Vaccinium angustifolium	FooDB	31437929
Plant		Malpighia emarginata	FooDB	31437929
Plant		Physalis	FooDB	31437929
Plant		Brassica oleracea var. sabauda	FooDB	31437929
Plant		Thelesperma	FooDB	31437929
Plant		Brassica napus	FooDB	31437929
Plant		Asparagus officinalis	FooDB	31437929
Plant		Chamerion angustifolium	FooDB	31437929
Plant		Levisticum officinale	FooDB	31437929
Plant		Pimpinella anisum	FooDB	31437929
Plant		Vaccinium elliottii	FooDB	31437929
Plant		Artemisia dracunculus	FooDB	31437929
Plant		Matricaria recutita	FooDB	31437929
Plant		Citrus aurantiifolia	FooDB	31437929
Plant		Ziziphus zizyphus	FooDB	31437929
Plant		Lactuca sativa	FooDB	31437929
Plant		Dimocarpus longan	FooDB	31437929
Plant		Eragrostis tef	FooDB	31437929
Plant		Salvia hispanica	FooDB	31437929
Plant		Pistacia vera	FooDB	31437929
Plant		Cynara cardunculus	FooDB	31437929
Plant		Vitellaria paradoxa	FooDB	31437929
Plant		Pangium edule	FooDB	31437929
Plant		Malus pumila	FooDB	31437929
Plant		Allium	FooDB	31437929
Plant		Brassica oleracea var. viridis	FooDB	31437929
Plant		Punica granatum	FooDB	31437929
Plant		Agave	FooDB	31437929
Plant		Hedysarum alpinum	FooDB	31437929
Plant		Diospyros	FooDB	31437929
Plant			FooDB	31437929
Plant		Vigna aconitifolia	FooDB	31437929
Plant		Amaranthus	FooDB	31437929
Plant		Gossypium	FooDB	31437929
Plant		Beta vulgaris	FooDB	31437929
Plant		Mammea americana	FooDB	31437929
Plant		Brassica alboglabra	FooDB	31437929
Plant		Annona squamosa	FooDB	31437929
Plant		Apium graveolens var. dulce	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Xanthosoma sagittifolium	FooDB	31437929
Plant		Basella alba	FooDB	31437929
Plant		Cucumis sativus	FooDB	31437929
Plant		Citrus latifolia	FooDB	31437929
Plant		Carya illinoinensis	FooDB	31437929
Plant		Capsicum baccatum var. baccatum	FooDB	31437929
Plant		Byrsonima crassifolia	FooDB	31437929
Plant		Capsicum pubescens	FooDB	31437929
Plant		Cinnamomum aromaticum	FooDB	31437929
Plant		Ribes rubrum	FooDB	31437929
Plant		Crateva religiosa	FooDB	31437929
Plant			FooDB	31437929
Plant		Vitis aestivalis	FooDB	31437929
Plant		Brassica rapa var. chinensis	FooDB	31437929
Plant		Eugenia javanica	FooDB	31437929
Plant		Portulaca oleracea	FooDB	31437929
Plant		Ipomoea batatas	FooDB	31437929
Plant		Mentha arvensis	FooDB	31437929
Plant		Pastinaca sativa	FooDB	31437929
Plant		Cucurbita maxima	FooDB	31437929
Plant		Vaccinium stamineum	FooDB	31437929
Plant		Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant		Chenopodium album	FooDB	31437929
Plant		Psophocarpus tetragonolobus	FooDB	31437929
Plant		Allium ampeloprasum	FooDB	31437929
Plant		Brassica oleracea	FooDB	31437929
Plant		Sechium edule	FooDB	31437929
Plant		Lactuca sativa l. var. longifolia	FooDB	31437929
Plant		Grataegosorbus mitschurinii	FooDB	31437929
Plant		Diospyros virginiana	FooDB	31437929
Plant		Origanum x majoricum	FooDB	31437929
Plant		Rubus x loganobaccus	FooDB	31437929
Plant		Tragopogon porrifolius	FooDB	31437929
Plant		Taraxacum officinale	FooDB	31437929
Plant		Rumex	FooDB	31437929
Plant		Allium ascalonicum	FooDB	31437929
Plant		Curcuma longa	FooDB	31437929
Plant		Rubus chamaemorus	FooDB	31437929
Plant		Elettaria cardamomum	FooDB	31437929
Plant		Citrullus lanatus var. fistulosus	FooDB	31437929
Plant		Ananas comosus	FooDB	31437929
Plant		Persea americana	FooDB	31437929
Plant		Amelanchier alnifolia	FooDB	31437929
Plant		Eugenia uniflora	FooDB	31437929
Plant		Annona reticulata	FooDB	31437929
Plant		Cichorium intybus	FooDB	31437929
Plant		Sesbania bispinosa	FooDB	31437929
Plant		Chenopodium quinoa	FooDB	31437929
Plant		Brassica oleracea var. botrytis	FooDB	31437929
Plant		Ribes x nidigrolaria	FooDB	31437929
Plant		Garcinia mangostana	FooDB	31437929
Plant		Cucumis melo	FooDB	31437929
Plant		Dioscorea pentaphylla	FooDB	31437929
Plant		Corchorus olitorius	FooDB	31437929
Plant		Juglans nigra	FooDB	31437929
Plant		Lathyrus sativus	FooDB	31437929
Plant		Allium tuberosum	FooDB	31437929
Plant		Cinnamomum verum	FooDB	31437929
Plant		Glycine max	FooDB	31437929
Plant		Gaylussacia baccata	FooDB	31437929
Plant		Petasites japonicus	FooDB	31437929
Plant		Prunus tomentosa	FooDB	31437929
Plant		Ocimum basilicum	FooDB	31437929
Plant		Mentha x piperita	FooDB	31437929
Plant		Maranta arundinacea	FooDB	31437929
Plant		Matteuccia struthiopteris	FooDB	31437929
Plant		Cucurbita moschata	FooDB	31437929
Plant		Macadamia	FooDB	31437929
Plant		Tilia	FooDB	31437929
Plant		Citrus limon	FooDB	31437929
Plant		Vaccinium myrtilloides	FooDB	31437929
Plant		Capsicum annuum var. annuum	FooDB	31437929
Plant		Apium graveolens var. rapaceum	FooDB	31437929
Plant		Papaver	FooDB	31437929
Plant		Rosa	FooDB	31437929
Plant		Nelumbo	FooDB	31437929
Plant		Brassica oleracea var. conica	FooDB	31437929
Plant		Sesamum orientale	FooDB	31437929
Plant		Annona cherimola	FooDB	31437929
Plant		Brassica rapa var. pekinensis	FooDB	31437929
Plant		Brassica rapa	FooDB	31437929
Plant		Lippia graveolens	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Capparis spinosa	FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Lens culinaris	FooDB	31437929
Plant		Vaccinium deliciosum	FooDB	31437929
Plant		Phaseolus lunatus	FooDB	31437929
Plant		Artocarpus heterophyllus	FooDB	31437929
Plant		Prunus virginiana	FooDB	31437929
Plant		Musa acuminata	FooDB	31437929
Plant		Citrullus lanatus	FooDB	31437929
Plant		Linum usitatissimum	FooDB	31437929
Plant		Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant		Macadamia tetraphylla	FooDB	31437929
Plant		Phyllostachys edulis	FooDB	31437929
Plant		Lagenaria siceraria	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Prunus armeniaca	FooDB	31437929
Plant		Carum carvi	FooDB	31437929
Plant		Allium schoenoprasum	FooDB	31437929
Plant		Carissa macrocarpa	FooDB	31437929
Plant		Citrus reticulata	FooDB	31437929
Plant		Satureja hortensis	FooDB	31437929
Plant		Averrhoa carambola	FooDB	31437929
Plant		Brassica rapa var. rapa	FooDB	31437929
Plant		Sorbus aucuparia	FooDB	31437929
Plant		Anethum graveolens	FooDB	31437929
Plant		Nelumbo nucifera	FooDB	31437929
Plant		Coriandrum sativum	FooDB	31437929
Plant		Bertholletia excelsa	FooDB	31437929
Plant		Brassica oleracea var. costata	FooDB	31437929
Plant		Panax	FooDB	31437929
Plant		Ceratonia siliqua	FooDB	31437929
Plant		Cymbopogon citratus	FooDB	31437929
Plant		Luffa aegyptiaca	FooDB	31437929
Plant		Anacardium occidentale	FooDB	31437929
Plant		Carthamus tinctorius	FooDB	31437929
Plant		Rubus occidentalis	FooDB	31437929
Plant		Vigna umbellata	FooDB	31437929
Plant		Cicer arietinum	FooDB	31437929
Plant		Allium fistulosum	FooDB	31437929
Plant		Capsicum	FooDB	31437929
Plant		Vaccinium alaskaense	FooDB	31437929
Plant		Lupinus	FooDB	31437929
Plant		Tilia cordata	FooDB	31437929
Plant		Camellia sinensis	FooDB	31437929
Plant		Prunus persica var. nucipersica	FooDB	31437929
Plant		Durio zibethinus	FooDB	31437929
Plant		Eriobotrya japonica	FooDB	31437929
Plant		Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant		Brassica napus var. pabularia	FooDB	31437929
Plant		Oenothera biennis	FooDB	31437929
Plant		Diospyros kaki	FooDB	31437929
Plant		Ribes glandulosum	FooDB	31437929
Plant		Phaseolus vulgaris	FooDB	31437929
Plant		Theobroma cacao	FooDB	31437929
Plant		Virola surinamensis	FooDB	31437929
Plant		Verbena officinalis	FooDB	31437929
Plant		Daucus carota ssp. sativus	FooDB	31437929
Plant		Vaccinium oxycoccos	FooDB	31437929
Plant		Rumex acetosa	FooDB	31437929
Plant		Syzygium aromaticum	FooDB	31437929
Plant		Pyrus pyrifolia	FooDB	31437929
Plant		Vaccinium myrtillus	FooDB	31437929
Plant		Vaccinium parvifolium	FooDB	31437929
Plant		Aloysia triphylla	FooDB	31437929
Plant		Brassica oleracea var. capitata	FooDB	31437929
Plant		Capsicum chinense	FooDB	31437929
Plant		Vicia faba	FooDB	31437929
Plant		Vaccinium reticulatum	FooDB	31437929
Plant		Solanum quitoense	FooDB	31437929
Plant		Ginkgo biloba	FooDB	31437929
Plant		Theobroma grandiflorum	FooDB	31437929
Plant		Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant		Flammulina velutipes	FooDB	31437929
Plant		Satureja montana	FooDB	31437929
Plant			FooDB	31437929
Plant		Vitis vinifera	FooDB	31437929
Plant		Citrus japonica	FooDB	31437929
Plant		Prunus avium	FooDB	31437929
Plant		Perideridia oregana	FooDB	31437929
Plant		Vaccinium arboreum	FooDB	31437929
Plant		Pouteria sapota	FooDB	31437929
Plant		Wasabia japonica	FooDB	31437929
Plant		Piper nigrum	FooDB	31437929
Plant		Origanum onites	FooDB	31437929
Plant		Capsicum annuum	FooDB	31437929
Plant		Origanum vulgare	FooDB	31437929
Plant		Viburnum edule	FooDB	31437929
Plant		Dioscorea	FooDB	31437929
Plant		Brassica oleracea var. italica	FooDB	31437929
Plant		Momordica charantia	FooDB	31437929
Plant		Vaccinium uliginosum	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB
Human Blood	Detected and Quantified	0.00098	0.00019	uM	Adult (>18 years old)	Both	Normal	HMDB	1783639
Human Blood	Detected and Quantified	0.015	0.005	uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.

External Links

HMDB ID

HMDB0001555

DrugBank ID

DB02142

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

1053

PDB ID

Not Available

ChEBI ID

18335

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]

Showing metabocard for Pyridoxamine 5'-phosphate (MMDBc0029671)

MOL for #<Metabolite:0x00007fa4d809a388>

3D MOL for #<Metabolite:0x00007fa4d809a388>

3D SDF for #<Metabolite:0x00007fa4d809a388>

3D-SDF for #<Metabolite:0x00007fa4d809a388>

PDB for #<Metabolite:0x00007fa4d809a388>

3D PDB for #<Metabolite:0x00007fa4d809a388>

SMILES for #<Metabolite:0x00007fa4d809a388>

INCHI for #<Metabolite:0x00007fa4d809a388>

Structure for #<Metabolite:0x00007fa4d809a388>

3D Structure for #<Metabolite:0x00007fa4d809a388>