MiMeDB: Showing metabocard for 6-Phosphogluconic acid (MMDBc0029615)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:34:39 UTC

Update Date

2024-10-15 17:52:28 UTC

Metabolite ID

MMDBc0029615

Metabolite Identification

Common Name

6-Phosphogluconic acid

Description

6-Phosphogluconic acid is an intermediate in the Pentose phosphate pathway (KEGG)

Structure

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

HMDB0001316
     RDKit          3D
6-Phosphogluconic acid
 30 29  0  0  0  0  0  0  0  0999 V2000
    2.4761   -1.9317    0.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730   -1.1125    0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5593   -1.0592    0.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313   -0.2256   -0.7411 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9267    0.5752   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360    0.7297   -0.3663 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4807    1.5015   -1.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733    0.0387    0.0870 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0464   -0.7858   -0.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433    1.0747    0.2675 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3615    1.9683    1.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9297    0.3464    0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2507   -0.5727   -0.4264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6734   -1.3906   -0.1061 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.3969   -2.8145    0.3417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5259   -0.6030    1.1162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6367   -1.4421   -1.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890   -1.3241    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5781   -0.8157   -1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063    1.2583   -0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0783    1.4159    0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4974    0.8632   -2.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6063   -0.5552    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2605   -0.1572   -1.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7515    1.5823   -0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593    2.8197    0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706   -0.1516    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.0956    0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0275    0.1776    0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8249   -0.5057   -1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
  3 18  1  0
  4 19  1  6
  5 20  1  0
  6 21  1  1
  7 22  1  0
  8 23  1  1
  9 24  1  0
 10 25  1  6
 11 26  1  0
 12 27  1  0
 12 28  1  0
 16 29  1  0
 17 30  1  0
M  END


  Mrv1652309042000212D          

 17 16  0  0  1  0            999 V2000
   11.2220   -9.2159    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.5075   -9.6285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6345   -9.9304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9365   -8.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3640   -8.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6496  -10.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0786  -10.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9351   -8.3909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5061   -9.2159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8095   -8.5015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2206  -10.4535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3640   -9.2159    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6496   -9.6285    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0786   -9.6285    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9351   -9.2159    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7930   -9.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2206   -9.6285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1 10  2  0  0  0  0
  2 16  1  0  0  0  0
 12  5  1  6  0  0  0
 13  6  1  6  0  0  0
 14  7  1  1  0  0  0
 15  8  1  6  0  0  0
  9 17  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029615

> <DATABASE_NAME>
MIME

> <SMILES>
O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1

> <INCHI_KEY>
BIRSGZKFKXLSJQ-SQOUGZDYSA-N

> <FORMULA>
C6H13O10P

> <MOLECULAR_WEIGHT>
276.1352

> <EXACT_MASS>
276.024633148

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
21.604298093643212

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexanoic acid

> <ALOGPS_LOGP>
-2.27

> <JCHEM_LOGP>
-3.533310342

> <ALOGPS_LOGS>
-1.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.4439499496677928

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4859275426968526

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5395749600526454

> <JCHEM_POLAR_SURFACE_AREA>
184.98

> <JCHEM_REFRACTIVITY>
49.14390000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.07e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-phosphogluconic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001316
     RDKit          3D
6-Phosphogluconic acid
 30 29  0  0  0  0  0  0  0  0999 V2000
    2.4761   -1.9317    0.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730   -1.1125    0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5593   -1.0592    0.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313   -0.2256   -0.7411 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9267    0.5752   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360    0.7297   -0.3663 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4807    1.5015   -1.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733    0.0387    0.0870 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0464   -0.7858   -0.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433    1.0747    0.2675 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3615    1.9683    1.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9297    0.3464    0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2507   -0.5727   -0.4264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6734   -1.3906   -0.1061 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.3969   -2.8145    0.3417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5259   -0.6030    1.1162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6367   -1.4421   -1.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890   -1.3241    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5781   -0.8157   -1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063    1.2583   -0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0783    1.4159    0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4974    0.8632   -2.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6063   -0.5552    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2605   -0.1572   -1.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7515    1.5823   -0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593    2.8197    0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706   -0.1516    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.0956    0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0275    0.1776    0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8249   -0.5057   -1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
  3 18  1  0
  4 19  1  6
  5 20  1  0
  6 21  1  1
  7 22  1  0
  8 23  1  1
  9 24  1  0
 10 25  1  6
 11 26  1  0
 12 27  1  0
 12 28  1  0
 16 29  1  0
 17 30  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  P   UNK     0      20.948 -17.203   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      19.614 -17.973   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      21.718 -18.537   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      22.281 -16.433   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      15.613 -15.663   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      14.279 -19.513   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      16.947 -19.513   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      12.946 -15.663   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      10.278 -17.203   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      20.178 -15.869   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      11.612 -19.513   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      15.613 -17.203   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.279 -17.973   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.947 -17.973   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.946 -17.203   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      18.280 -17.203   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.612 -17.973   0.000  0.00  0.00           C+0
CONECT    1    2    3    4   10                                             
CONECT    2    1   16                                                       
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5   12                                                            
CONECT    6   13                                                            
CONECT    7   14                                                            
CONECT    8   15                                                            
CONECT    9   17                                                            
CONECT   10    1                                                            
CONECT   11   17                                                            
CONECT   12    5   13   14                                                  
CONECT   13    6   12   15                                                  
CONECT   14    7   12   16                                                  
CONECT   15    8   13   17                                                  
CONECT   16    2   14                                                       
CONECT   17    9   11   15                                                  
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END

COMPND    HMDB0001316
HETATM    1  O1  UNL     1       2.476  -1.932   0.833  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.273  -1.112   0.336  1.00  0.00           C  
HETATM    3  O2  UNL     1       4.559  -1.059   0.815  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.831  -0.226  -0.741  1.00  0.00           C  
HETATM    5  O3  UNL     1       3.927   0.575  -1.115  1.00  0.00           O  
HETATM    6  C3  UNL     1       1.736   0.730  -0.366  1.00  0.00           C  
HETATM    7  O4  UNL     1       1.481   1.502  -1.515  1.00  0.00           O  
HETATM    8  C4  UNL     1       0.473   0.039   0.087  1.00  0.00           C  
HETATM    9  O5  UNL     1       0.046  -0.786  -0.953  1.00  0.00           O  
HETATM   10  C5  UNL     1      -0.643   1.075   0.267  1.00  0.00           C  
HETATM   11  O6  UNL     1      -0.362   1.968   1.271  1.00  0.00           O  
HETATM   12  C6  UNL     1      -1.930   0.346   0.573  1.00  0.00           C  
HETATM   13  O7  UNL     1      -2.251  -0.573  -0.426  1.00  0.00           O  
HETATM   14  P1  UNL     1      -3.673  -1.391  -0.106  1.00  0.00           P  
HETATM   15  O8  UNL     1      -3.397  -2.815   0.342  1.00  0.00           O  
HETATM   16  O9  UNL     1      -4.526  -0.603   1.116  1.00  0.00           O  
HETATM   17  O10 UNL     1      -4.637  -1.442  -1.502  1.00  0.00           O  
HETATM   18  H1  UNL     1       5.389  -1.324   0.308  1.00  0.00           H  
HETATM   19  H2  UNL     1       2.578  -0.816  -1.659  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.006   1.258  -0.398  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.078   1.416   0.414  1.00  0.00           H  
HETATM   22  H5  UNL     1       1.497   0.863  -2.277  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.606  -0.555   0.990  1.00  0.00           H  
HETATM   24  H7  UNL     1      -0.261  -0.157  -1.683  1.00  0.00           H  
HETATM   25  H8  UNL     1      -0.752   1.582  -0.711  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.059   2.820   0.867  1.00  0.00           H  
HETATM   27  H10 UNL     1      -1.871  -0.152   1.565  1.00  0.00           H  
HETATM   28  H11 UNL     1      -2.746   1.096   0.609  1.00  0.00           H  
HETATM   29  H12 UNL     1      -5.028   0.178   0.726  1.00  0.00           H  
HETATM   30  H13 UNL     1      -4.825  -0.506  -1.794  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   18
CONECT    4    5    6   19
CONECT    5   20
CONECT    6    7    8   21
CONECT    7   22
CONECT    8    9   10   23
CONECT    9   24
CONECT   10   11   12   25
CONECT   11   26
CONECT   12   13   27   28
CONECT   13   14
CONECT   14   15   15   16   17
CONECT   16   29
CONECT   17   30
END

HMDB0001316
     RDKit          3D
6-Phosphogluconic acid
 30 29  0  0  0  0  0  0  0  0999 V2000
    2.4761   -1.9317    0.8332 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730   -1.1125    0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5593   -1.0592    0.8145 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313   -0.2256   -0.7411 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9267    0.5752   -1.1150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360    0.7297   -0.3663 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4807    1.5015   -1.5150 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733    0.0387    0.0870 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0464   -0.7858   -0.9534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433    1.0747    0.2675 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3615    1.9683    1.2715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9297    0.3464    0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2507   -0.5727   -0.4264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6734   -1.3906   -0.1061 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.3969   -2.8145    0.3417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5259   -0.6030    1.1162 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6367   -1.4421   -1.5017 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890   -1.3241    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5781   -0.8157   -1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0063    1.2583   -0.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0783    1.4159    0.4141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4974    0.8632   -2.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6063   -0.5552    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2605   -0.1572   -1.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7515    1.5823   -0.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0593    2.8197    0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706   -0.1516    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7458    1.0956    0.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0275    0.1776    0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8249   -0.5057   -1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
  3 18  1  0
  4 19  1  6
  5 20  1  0
  6 21  1  1
  7 22  1  0
  8 23  1  1
  9 24  1  0
 10 25  1  6
 11 26  1  0
 12 27  1  0
 12 28  1  0
 16 29  1  0
 17 30  1  0
M  END

Synonyms

Value	Source
6-Phospho-D-gluconate	ChEBI
6-Phospho-D-gluconic acid	Generator
6-Phosphogluconate	Generator
6-O-Phosphono-D-gluconic acid	HMDB
6-p-Gluconate	HMDB
D-Gluconic acid 6-(dihydrogen phosphate)	HMDB
D-Gluconic acid 6-phosphate	HMDB
Gluconic acid-6-phosphate	HMDB
Gluconate 6-phosphate	HMDB

Molecular Formula

C₆H₁₃O₁₀P

Average Mass

276.1352

Monoisotopic Mass

276.024633148

IUPAC Name

(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexanoic acid

Traditional Name

6-phosphogluconic acid

CAS Registry Number

921-62-0

SMILES

O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O

InChI Identifier

InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1

InChI Key

BIRSGZKFKXLSJQ-SQOUGZDYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharide phosphates

Alternative Parents

Substituents

Gluconic_acid
Hexose monosaccharide
Monosaccharide phosphate
Medium-chain hydroxy acid
Medium-chain fatty acid
Monoalkyl phosphate
Beta-hydroxy acid
Hydroxy fatty acid
Alkyl phosphate
Fatty acid
Alpha-hydroxy acid
Phosphoric acid ester
Organic phosphoric acid derivative
Fatty acyl
Hydroxy acid
Secondary alcohol
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Carbonyl group
Alcohol
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

gluconic acid phosphate (CHEBI:48928 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	20.7 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-3.5	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.49	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	184.98 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	49.14 m³·mol⁻¹	ChemAxon
Polarizability	21.6 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-MS (5 TMS)	splash10-0uxu-0933000000-d0c837bb667abbae2ce0	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (7 TMS)	splash10-00ks-1978000000-c7702d284ad9f06bb5c0	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0uxu-0933000000-d0c837bb667abbae2ce0	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00ks-1978000000-c7702d284ad9f06bb5c0	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4j-9430000000-e4198ba354325082e116	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive	splash10-00dl-7192047000-e8fa0bd25a22fa6fd28b	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
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 - Quattro_QQQ 10V, Negative (Annotated)	splash10-00dj-5090000000-a1b0f01abec0e4fb22c5	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated)	splash10-002b-9000000000-780e6dc35ed33dde8b62	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated)	splash10-004i-9000000000-df8e5979c41c127eff41	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-00b9-0495110000-a9d468f24ea04c2dd0d2	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-0002-9100000000-25ef4bb1cdb69b6418ce	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-0a4j-5090000000-6db5e52f38f29e35f42a	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-004i-0090000000-b6ed9e59bd4492f4b5ce	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-004i-0190000000-50702b7e8f4b7289d218	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-004j-9260000000-e356e1c75aa70d0065f9	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-002b-9100000000-5be967e173f74d688dc2	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-004j-9000000000-1c5eda88c214ef66d7b6	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-004i-9000000000-e1b81e634eb90448b9cd	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004i-0090000000-50702b7e8f4b7289d218	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004j-9260000000-20df41bde9cbb406f532	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-002b-9100000000-56434d8c214a22e12603	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004j-9000000000-1c5eda88c214ef66d7b6	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-004i-9000000000-e1b81e634eb90448b9cd	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-0002-9100000000-25ef4bb1cdb69b6418ce	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-0a4j-5090000000-6db5e52f38f29e35f42a	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT , negative	splash10-004i-0090000000-b6ed9e59bd4492f4b5ce	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 20V, Negative	splash10-002b-9100000000-15a83e588180be4c0664	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-3d9937a328c6aa73fe8a	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 10V, Negative	splash10-004j-7190000000-26e8b7b5ea3ee85cbb61	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - 35V, Negative	splash10-002b-9100000000-39b6ad01fb7aa0ecbb1a	2021-09-20	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 19V, positive	splash10-01ow-3390000000-1a67f265724b65046d12	2020-07-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	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	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-25	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Endoplasmic reticulum

Biospecimen Locations

Adipose Tissue
Cellular Cytoplasm
Epidermis
Feces
Fibroblasts
Placenta
Prostate
Saliva

Tissue Locations

Adipose Tissue
Epidermis
Fibroblasts
Placenta
Prostate

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191996	6-phosphogluconolactonase	Enzyme	O95336	Homo sapiens
MMDBp0191998	GDH/6PGL endoplasmic bifunctional protein	Unknown	O95479	Homo sapiens
MMDBp0192650	6-phosphogluconate dehydrogenase, decarboxylating	Enzyme	P52209	Homo sapiens
MMDBp0194180	Putative uncharacterized protein PGD	Enzyme	A9Z1X1	Homo sapiens
MMDBp0195922	Probable gluconokinase	Enzyme	Q5T6J7	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0001373	6-Phosphogluconic acid	D-Ribulose 5-phosphate	phosphogluconate dehydrogenase	VMH; KEGG	30371894
MMDBr0001924	6-Phosphonoglucono-D-lactone	6-Phosphogluconic acid	hexose-6-phosphate dehydrogenase (glucose 1-dehydrogenase)	VMH; KEGG	30371894
MMDBr0003828	Gluconic acid	6-Phosphogluconic acid	Not Available	VMH	10978316
MMDBr0005486	6-Phosphogluconic acid	D-Ribulose 5-phosphate	phosphogluconate dehydrogenase	VMH	30371894
MMDBr0005507	6-Phosphonoglucono-D-lactone	6-Phosphogluconic acid	6-phosphogluconolactonase	VMH	30371894
MMDBr0007523	6-Phosphonoglucono-D-lactone	6-Phosphogluconic acid	Not Available	VMH; KEGG	30371894
MMDBr0007660	Gluconic acid	6-Phosphogluconic acid	Not Available	VMH; KEGG	30371894
MMDBr0007845	6-Phosphogluconic acid	D-Ribulose 5-phosphate	Not Available	VMH; KEGG	30371894
MMDBr0010890	6-Phosphogluconic acid	D-Ribulose 5-phosphate	Not Available	VMH	30371894

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	223	Human feces; Human sputum; Human ; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Human subgingival plaque; Human saliva	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	285	Human feces; Human ; Human sputum; Human saliva; Human urine; Human supragingival plaque; Pig ; Cattle ; Human subgingival plaque	Metabolic reconstruction
Bacteria	Actinobacteria	113	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Cattle	Metabolic reconstruction
Bacteria	Bacteroidetes	80	Human feces; Human ; Human stool; Human saliva	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	2	Human feces	Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Archaea	Euryarchaeota	1		Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	9	Human feces; Human saliva; Human supragingival plaque	Unknown
Bacteria	Chlamydiae	3	Human
Eukaryota/Fungi	Mucoromycota	1
Bacteria	Cyanobacteria	2
Bacteria	nah	1
Bacteria	Spirochaetes	2	Human
Bacteria	Thermotogae	1
Archaea/Archaea	Euryarchaeota	1		Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Chondrus crispus	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
Animal		Spirulina	FooDB	31437929
Animal	Milk	Bos taurus	FooDB	31437929
Animal		Lota lota	FooDB	31437929
Animal		Porphyra umbilicalis	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		Virola surinamensis	FooDB	31437929
Plant		Verbena officinalis	FooDB	31437929
Plant		Theobroma cacao	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
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

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 Cellular cytoplasm	Detected and Quantified	2720		uM	Adult (>18 years old)	Both	Normal	HMDB	15882454
Human Saliva	Detected and Quantified	0.117	0.228	uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.171	0.231	uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.253	0.218	uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.557	0.537	uM	Adult (>18 years old)	Male	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Adipose tissue	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Epidermis	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

HMDB0001316

DrugBank ID

DB02076

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

6-Phosphogluconic_acid

METLIN ID

367

PubChem Compound

91493

PDB ID

Not Available

ChEBI ID

48928

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Harada S: Isoelectrofocusing in acetate membrane: the method and application. Clin Chim Acta. 1975 Sep 16;63(3):275-83. doi: 10.1016/0009-8981(75)90048-0. [PubMed:240520 ]
Schwerd W, Fehrer HD: [The detection of inherited enzyme polymorphism in semen (author's transl)]. Z Rechtsmed. 1979 Jul 17;83(2):129-38. doi: 10.1007/BF02092269. [PubMed:494813 ]
Moghetti P, Bonora E, Cigolini M, Querena M, Cacciatori V, Muggeo M: Enzymatic activities related to intermediary metabolism of glucose in circulating mononuclear cells from obese humans: relationship to enzyme activity in adipose tissue. Enzyme. 1990;43(1):26-32. doi: 10.1159/000468702. [PubMed:2141817 ]
Harmon CS, Phizackerley PJ: Glycogen metabolism in psoriatic epidermis and in regenerating epidermis. Clin Sci (Lond). 1984 Sep;67(3):291-8. doi: 10.1042/cs0670291. [PubMed:6432401 ]
Chen SH, Karp LE, Scott CR, Chen W: Use of genetic markers to certify fetal origin of cultured amniotic fluid cells. Hum Genet. 1981;57(3):323-4. doi: 10.1007/BF00278954. [PubMed:6454643 ]
Ahmed N, Weidemann MJ: Purine metabolism in promyelocytic HL60 and dimethylsulphoxide-differentiated HL60 cells. Leuk Res. 1994 Jun;18(6):441-51. doi: 10.1016/0145-2126(94)90080-9. [PubMed:8207962 ]
Swierczynski J, Goyke E, Wach L, Pankiewicz A, Kochan Z, Adamonis W, Sledzinski Z, Aleksandrowicz Z: Comparative study of the lipogenic potential of human and rat adipose tissue. Metabolism. 2000 May;49(5):594-9. doi: 10.1016/s0026-0495(00)80033-5. [PubMed:10831168 ]
Nakayama Y, Kinoshita A, Tomita M: Dynamic simulation of red blood cell metabolism and its application to the analysis of a pathological condition. Theor Biol Med Model. 2005 May 9;2:18. doi: 10.1186/1742-4682-2-18. [PubMed:15882454 ]
Wamelink MM, Struys EA, Huck JH, Roos B, van der Knaap MS, Jakobs C, Verhoeven NM: Quantification of sugar phosphate intermediates of the pentose phosphate pathway by LC-MS/MS: application to two new inherited defects of metabolism. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Aug 25;823(1):18-25. doi: 10.1016/j.jchromb.2005.01.001. Epub 2005 Jan 23. [PubMed:16055050 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for 6-Phosphogluconic acid (MMDBc0029615)

MOL for #<Metabolite:0x00007fab3012b028>

3D MOL for #<Metabolite:0x00007fab3012b028>

3D SDF for #<Metabolite:0x00007fab3012b028>

3D-SDF for #<Metabolite:0x00007fab3012b028>

PDB for #<Metabolite:0x00007fab3012b028>

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Structure for #<Metabolite:0x00007fab3012b028>

3D Structure for #<Metabolite:0x00007fab3012b028>