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

Microbial

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

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
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-056r-2590000000-53a3a79c2cc73c243e4e	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a6v-7920000000-e9b87a1b1cd046187a03	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a6r-9400000000-299a98a9b8ecad68997d	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-004i-9830000000-f784c955d104bea3213f	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9300000000-bffd36c521b6f41716d9	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-d27f7e55395c8a6e1547	2016-09-12	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

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (retained)	2025-10-23	645.9
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	519.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	52.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	236.1
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	346.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (void)	2025-10-23	348.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	518.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	951.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	1053.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	200.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	500.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-23	206.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	11.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	584.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	911.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	106.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	405.6
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	745.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	626.9

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	6-Phosphogluconic acid_TMS_1	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1961.38
Gas Chromatography	6-Phosphogluconic acid_TMS_2	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2051.39
Gas Chromatography	6-Phosphogluconic acid_TMS_3	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	1594.09
Gas Chromatography	6-Phosphogluconic acid_TMS_4	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	2344.1
Gas Chromatography	6-Phosphogluconic acid_TMS_5	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	2182.01
Gas Chromatography	6-Phosphogluconic acid_TMS_6	C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1653.11
Gas Chromatography	6-Phosphogluconic acid_TMS_7	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2370.95
Gas Chromatography	6-Phosphogluconic acid_TMS_8	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1761.23
Gas Chromatography	6-Phosphogluconic acid_TMS_9	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2057.14
Gas Chromatography	6-Phosphogluconic acid_TMS_10	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1304.65
Gas Chromatography	6-Phosphogluconic acid_TMS_11	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1224.11
Gas Chromatography	6-Phosphogluconic acid_TMS_12	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2487.45
Gas Chromatography	6-Phosphogluconic acid_TMS_13	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	1723.51
Gas Chromatography	6-Phosphogluconic acid_TMS_14	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	2204.44
Gas Chromatography	6-Phosphogluconic acid_TMS_15	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2467.79
Gas Chromatography	6-Phosphogluconic acid_TMS_16	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	1242.55
Gas Chromatography	6-Phosphogluconic acid_TMS_17	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	1969.27
Gas Chromatography	6-Phosphogluconic acid_TMS_18	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1984.55
Gas Chromatography	6-Phosphogluconic acid_TMS_19	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	1680.48
Gas Chromatography	6-Phosphogluconic acid_TMS_20	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1193.72
Gas Chromatography	6-Phosphogluconic acid_TMS_21	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1615.41
Gas Chromatography	6-Phosphogluconic acid_TMS_22	C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1947.57
Gas Chromatography	6-Phosphogluconic acid_TMS_23	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2121.41
Gas Chromatography	6-Phosphogluconic acid_TMS_24	C[Si](C)(C)O[C@@H]([C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1287.34
Gas Chromatography	6-Phosphogluconic acid_TMS_25	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2575.81
Gas Chromatography	6-Phosphogluconic acid_TMS_26	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1566.99
Gas Chromatography	6-Phosphogluconic acid_TMS_27	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2303.15
Gas Chromatography	6-Phosphogluconic acid_TMS_28	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2151.06
Gas Chromatography	6-Phosphogluconic acid_TMS_29	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2217.19
Gas Chromatography	6-Phosphogluconic acid_TMS_30	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	808.568
Gas Chromatography	6-Phosphogluconic acid_TMS_31	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2010.46
Gas Chromatography	6-Phosphogluconic acid_TMS_32	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2078.85
Gas Chromatography	6-Phosphogluconic acid_TMS_33	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1778.67
Gas Chromatography	6-Phosphogluconic acid_TMS_34	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	2703.29
Gas Chromatography	6-Phosphogluconic acid_TMS_35	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	2536.73
Gas Chromatography	6-Phosphogluconic acid_TMS_36	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2587.18
Gas Chromatography	6-Phosphogluconic acid_TMS_37	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	1117.19
Gas Chromatography	6-Phosphogluconic acid_TMS_38	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1636.29
Gas Chromatography	6-Phosphogluconic acid_TMS_39	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1990.03
Gas Chromatography	6-Phosphogluconic acid_TMS_40	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1941.94
Gas Chromatography	6-Phosphogluconic acid_TMS_41	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	2443.76
Gas Chromatography	6-Phosphogluconic acid_TMS_42	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1749.47
Gas Chromatography	6-Phosphogluconic acid_TMS_43	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1566.17
Gas Chromatography	6-Phosphogluconic acid_TMS_44	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1213.41
Gas Chromatography	6-Phosphogluconic acid_TMS_45	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	2477.63
Gas Chromatography	6-Phosphogluconic acid_TMS_46	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2252.14
Gas Chromatography	6-Phosphogluconic acid_TMS_47	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1804.58
Gas Chromatography	6-Phosphogluconic acid_TMS_48	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	751.766
Gas Chromatography	6-Phosphogluconic acid_TMS_49	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	945.605
Gas Chromatography	6-Phosphogluconic acid_TMS_50	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1516.25
Gas Chromatography	6-Phosphogluconic acid_TMS_51	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1883.35
Gas Chromatography	6-Phosphogluconic acid_TMS_52	C[Si](C)(C)O[C@@H]([C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1466.12
Gas Chromatography	6-Phosphogluconic acid_TMS_53	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2644.14
Gas Chromatography	6-Phosphogluconic acid_TMS_54	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2609.05
Gas Chromatography	6-Phosphogluconic acid_TMS_55	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	1657.24
Gas Chromatography	6-Phosphogluconic acid_TMS_56	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2280.5
Gas Chromatography	6-Phosphogluconic acid_TMS_57	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1662.64
Gas Chromatography	6-Phosphogluconic acid_TMS_58	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1951.08
Gas Chromatography	6-Phosphogluconic acid_TMS_59	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1859.71
Gas Chromatography	6-Phosphogluconic acid_TMS_60	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard non polar	2025-10-23	2918.69
Gas Chromatography	6-Phosphogluconic acid_TMS_61	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2519.28
Gas Chromatography	6-Phosphogluconic acid_TMS_62	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard non polar	2025-10-23	2083.83
Gas Chromatography	6-Phosphogluconic acid_TMS_63	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1718.82
Gas Chromatography	6-Phosphogluconic acid_TMS_64	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	2023.56
Gas Chromatography	6-Phosphogluconic acid_TMS_65	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard non polar	2025-10-23	2569.47
Gas Chromatography	6-Phosphogluconic acid_TMS_66	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	2311.02
Gas Chromatography	6-Phosphogluconic acid_TMS_67	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2496.44
Gas Chromatography	6-Phosphogluconic acid_TMS_68	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1140.57
Gas Chromatography	6-Phosphogluconic acid_TMS_69	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	1214.1
Gas Chromatography	6-Phosphogluconic acid_TMS_70	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2017.5
Gas Chromatography	6-Phosphogluconic acid_TMS_71	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2183.07
Gas Chromatography	6-Phosphogluconic acid_TMS_72	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2047.44
Gas Chromatography	6-Phosphogluconic acid_TMS_73	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard non polar	2025-10-23	2405.44
Gas Chromatography	6-Phosphogluconic acid_TMS_74	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1530.47
Gas Chromatography	6-Phosphogluconic acid_TMS_75	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1710.44
Gas Chromatography	6-Phosphogluconic acid_TMS_76	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard non polar	2025-10-23	1299.46
Gas Chromatography	6-Phosphogluconic acid_TMS_77	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1783.41
Gas Chromatography	6-Phosphogluconic acid_TMS_78	C[Si](C)(C)O[C@@H]([C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1848.93
Gas Chromatography	6-Phosphogluconic acid_TMS_79	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2561.81
Gas Chromatography	6-Phosphogluconic acid_TMS_80	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1821.18
Gas Chromatography	6-Phosphogluconic acid_TMS_81	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1714.04
Gas Chromatography	6-Phosphogluconic acid_TMS_82	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2373.93
Gas Chromatography	6-Phosphogluconic acid_TMS_83	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1424.76
Gas Chromatography	6-Phosphogluconic acid_TMS_84	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard non polar	2025-10-23	2617.84
Gas Chromatography	6-Phosphogluconic acid_TMS_85	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1151.04
Gas Chromatography	6-Phosphogluconic acid_TMS_86	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2507.2
Gas Chromatography	6-Phosphogluconic acid_TMS_87	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2396.35
Gas Chromatography	6-Phosphogluconic acid_TMS_88	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2102.47
Gas Chromatography	6-Phosphogluconic acid_TMS_89	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2195.04
Gas Chromatography	6-Phosphogluconic acid_TMS_90	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1576.01
Gas Chromatography	6-Phosphogluconic acid_TMS_91	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1707.09
Gas Chromatography	6-Phosphogluconic acid_TMS_92	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2308.52
Gas Chromatography	6-Phosphogluconic acid_TMS_93	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2848.45
Gas Chromatography	6-Phosphogluconic acid_TMS_94	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	1742.25
Gas Chromatography	6-Phosphogluconic acid_TMS_95	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard non polar	2025-10-23	2914.2
Gas Chromatography	6-Phosphogluconic acid_TMS_1	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	1913.82
Gas Chromatography	6-Phosphogluconic acid_TMS_2	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	1800.88
Gas Chromatography	6-Phosphogluconic acid_TMS_3	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	2090.54
Gas Chromatography	6-Phosphogluconic acid_TMS_4	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	1871.18
Gas Chromatography	6-Phosphogluconic acid_TMS_5	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	1969.12
Gas Chromatography	6-Phosphogluconic acid_TMS_6	C[Si](C)(C)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	1929.77
Gas Chromatography	6-Phosphogluconic acid_TMS_7	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	1829.31
Gas Chromatography	6-Phosphogluconic acid_TMS_8	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	710.732
Gas Chromatography	6-Phosphogluconic acid_TMS_9	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2170.31
Gas Chromatography	6-Phosphogluconic acid_TMS_10	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	2055.44
Gas Chromatography	6-Phosphogluconic acid_TMS_11	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	1860.46
Gas Chromatography	6-Phosphogluconic acid_TMS_12	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard polar	2025-10-23	2185.3
Gas Chromatography	6-Phosphogluconic acid_TMS_13	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	2729.8
Gas Chromatography	6-Phosphogluconic acid_TMS_14	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	2470.35
Gas Chromatography	6-Phosphogluconic acid_TMS_15	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	1029.25
Gas Chromatography	6-Phosphogluconic acid_TMS_16	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	1736.23
Gas Chromatography	6-Phosphogluconic acid_TMS_17	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	2374.81
Gas Chromatography	6-Phosphogluconic acid_TMS_18	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1932.0
Gas Chromatography	6-Phosphogluconic acid_TMS_19	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	2182.02
Gas Chromatography	6-Phosphogluconic acid_TMS_20	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2043.76
Gas Chromatography	6-Phosphogluconic acid_TMS_21	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1703.88
Gas Chromatography	6-Phosphogluconic acid_TMS_22	C[Si](C)(C)OP(=O)(OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O)O[Si](C)(C)C	standard polar	2025-10-23	1434.2
Gas Chromatography	6-Phosphogluconic acid_TMS_23	C[Si](C)(C)O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard polar	2025-10-23	3129.21
Gas Chromatography	6-Phosphogluconic acid_TMS_24	C[Si](C)(C)O[C@@H]([C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	2862.79
Gas Chromatography	6-Phosphogluconic acid_TMS_25	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	1794.64
Gas Chromatography	6-Phosphogluconic acid_TMS_26	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	2683.73
Gas Chromatography	6-Phosphogluconic acid_TMS_27	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	2225.82
Gas Chromatography	6-Phosphogluconic acid_TMS_28	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	2120.27
Gas Chromatography	6-Phosphogluconic acid_TMS_29	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1989.49
Gas Chromatography	6-Phosphogluconic acid_TMS_30	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	2029.28
Gas Chromatography	6-Phosphogluconic acid_TMS_31	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2480.87
Gas Chromatography	6-Phosphogluconic acid_TMS_32	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1465.03
Gas Chromatography	6-Phosphogluconic acid_TMS_33	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	2304.79
Gas Chromatography	6-Phosphogluconic acid_TMS_34	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	1810.56
Gas Chromatography	6-Phosphogluconic acid_TMS_35	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	2446.61
Gas Chromatography	6-Phosphogluconic acid_TMS_36	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard polar	2025-10-23	1859.46
Gas Chromatography	6-Phosphogluconic acid_TMS_37	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	2801.16
Gas Chromatography	6-Phosphogluconic acid_TMS_38	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1884.63
Gas Chromatography	6-Phosphogluconic acid_TMS_39	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2335.29
Gas Chromatography	6-Phosphogluconic acid_TMS_40	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	2040.33
Gas Chromatography	6-Phosphogluconic acid_TMS_41	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	2141.31
Gas Chromatography	6-Phosphogluconic acid_TMS_42	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2420.04
Gas Chromatography	6-Phosphogluconic acid_TMS_43	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2070.92
Gas Chromatography	6-Phosphogluconic acid_TMS_44	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2779.75
Gas Chromatography	6-Phosphogluconic acid_TMS_45	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1541.35
Gas Chromatography	6-Phosphogluconic acid_TMS_46	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1455.09
Gas Chromatography	6-Phosphogluconic acid_TMS_47	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2379.2
Gas Chromatography	6-Phosphogluconic acid_TMS_48	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	2049.58
Gas Chromatography	6-Phosphogluconic acid_TMS_49	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	2618.92
Gas Chromatography	6-Phosphogluconic acid_TMS_50	C[Si](C)(C)O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard polar	2025-10-23	2199.41
Gas Chromatography	6-Phosphogluconic acid_TMS_51	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	1388.68
Gas Chromatography	6-Phosphogluconic acid_TMS_52	C[Si](C)(C)O[C@@H]([C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1811.73
Gas Chromatography	6-Phosphogluconic acid_TMS_53	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2278.53
Gas Chromatography	6-Phosphogluconic acid_TMS_54	C[Si](C)(C)O[C@H]([C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)C(=O)O	standard polar	2025-10-23	2834.81
Gas Chromatography	6-Phosphogluconic acid_TMS_55	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	1979.47
Gas Chromatography	6-Phosphogluconic acid_TMS_56	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2302.95
Gas Chromatography	6-Phosphogluconic acid_TMS_57	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1953.8
Gas Chromatography	6-Phosphogluconic acid_TMS_58	C[Si](C)(C)O[C@H]([C@@H](O)C(=O)O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2154.55
Gas Chromatography	6-Phosphogluconic acid_TMS_59	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2204.25
Gas Chromatography	6-Phosphogluconic acid_TMS_60	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O	standard polar	2025-10-23	2088.53
Gas Chromatography	6-Phosphogluconic acid_TMS_61	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2311.64
Gas Chromatography	6-Phosphogluconic acid_TMS_62	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O	standard polar	2025-10-23	2534.4
Gas Chromatography	6-Phosphogluconic acid_TMS_63	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1356.25
Gas Chromatography	6-Phosphogluconic acid_TMS_64	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	1976.66
Gas Chromatography	6-Phosphogluconic acid_TMS_65	C[Si](C)(C)O[C@H]([C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard polar	2025-10-23	2072.62
Gas Chromatography	6-Phosphogluconic acid_TMS_66	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2799.49
Gas Chromatography	6-Phosphogluconic acid_TMS_67	C[Si](C)(C)O[C@@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1589.51
Gas Chromatography	6-Phosphogluconic acid_TMS_68	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2467.1
Gas Chromatography	6-Phosphogluconic acid_TMS_69	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2835.71
Gas Chromatography	6-Phosphogluconic acid_TMS_70	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2198.84
Gas Chromatography	6-Phosphogluconic acid_TMS_71	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2228.8
Gas Chromatography	6-Phosphogluconic acid_TMS_72	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3125.14
Gas Chromatography	6-Phosphogluconic acid_TMS_73	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O)O[Si](C)(C)C	standard polar	2025-10-23	2099.92
Gas Chromatography	6-Phosphogluconic acid_TMS_74	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2859.48
Gas Chromatography	6-Phosphogluconic acid_TMS_75	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2104.12
Gas Chromatography	6-Phosphogluconic acid_TMS_76	C[Si](C)(C)O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)C(=O)O	standard polar	2025-10-23	1925.62
Gas Chromatography	6-Phosphogluconic acid_TMS_77	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1002.27
Gas Chromatography	6-Phosphogluconic acid_TMS_78	C[Si](C)(C)O[C@@H]([C@H](O)[C@@H](O[Si](C)(C)C)C(=O)O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1502.51
Gas Chromatography	6-Phosphogluconic acid_TMS_79	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2795.48
Gas Chromatography	6-Phosphogluconic acid_TMS_80	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1356.33
Gas Chromatography	6-Phosphogluconic acid_TMS_81	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1530.43
Gas Chromatography	6-Phosphogluconic acid_TMS_82	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1733.43
Gas Chromatography	6-Phosphogluconic acid_TMS_83	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1642.64
Gas Chromatography	6-Phosphogluconic acid_TMS_84	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O)O[Si](C)(C)C	standard polar	2025-10-23	2259.85
Gas Chromatography	6-Phosphogluconic acid_TMS_85	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	3538.87
Gas Chromatography	6-Phosphogluconic acid_TMS_86	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2462.79
Gas Chromatography	6-Phosphogluconic acid_TMS_87	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2400.02
Gas Chromatography	6-Phosphogluconic acid_TMS_88	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2387.37
Gas Chromatography	6-Phosphogluconic acid_TMS_89	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1601.73
Gas Chromatography	6-Phosphogluconic acid_TMS_90	C[Si](C)(C)O[C@H]([C@@H](O[Si](C)(C)C)C(=O)O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2033.94
Gas Chromatography	6-Phosphogluconic acid_TMS_91	C[Si](C)(C)OC(=O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2083.3
Gas Chromatography	6-Phosphogluconic acid_TMS_92	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1590.63
Gas Chromatography	6-Phosphogluconic acid_TMS_93	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2430.19
Gas Chromatography	6-Phosphogluconic acid_TMS_94	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	1730.39
Gas Chromatography	6-Phosphogluconic acid_TMS_95	C[Si](C)(C)OC(=O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	standard polar	2025-10-23	2724.42

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

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018469	6-Phosphonoglucono-D-lactone	6-Phosphogluconic acid	6-phosphogluconolactonase	Hydrolysis	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	4	Human feces; Human sputum; Human ; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Human subgingival plaque; Human saliva	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	Firmicutes	284	Human feces; Human ; Human sputum; Human saliva; Human urine; Human supragingival plaque; Pig ; Cattle ; Human subgingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	219	Human feces; Human sputum; Human ; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Human subgingival plaque; Human saliva	Unknown; Metabolic reconstruction
Bacteria/Eubacteria	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/Eubacteria	Bacteroidetes	80	Human feces; Human ; Human saliva	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	2	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	1	Human feces; Human ; Human sputum; Human saliva; Human urine; Human supragingival plaque; Pig ; Cattle ; Human subgingival plaque	Metabolic reconstruction
Archaea	Euryarchaeota	1		Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	9	Human feces; Human saliva; Human supragingival plaque	Unknown
Bacteria/Eubacteria	Chlamydiae	3	Human
Eukaryota/Fungi	Mucoromycota	1
Bacteria/Eubacteria	Cyanobacteria	2
Bacteria	nah	1
Bacteria/Eubacteria	Spirochaetes	2	Human
Bacteria/Eubacteria	Thermotogae	1
Archaea/Archaea	Euryarchaeota	1		Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox

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

CMMC Knowledgebase

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:0x00007f9aa0db9a38>

3D MOL for #<Metabolite:0x00007f9aa0db9a38>

3D SDF for #<Metabolite:0x00007f9aa0db9a38>

3D-SDF for #<Metabolite:0x00007f9aa0db9a38>

PDB for #<Metabolite:0x00007f9aa0db9a38>

3D PDB for #<Metabolite:0x00007f9aa0db9a38>

SMILES for #<Metabolite:0x00007f9aa0db9a38>

INCHI for #<Metabolite:0x00007f9aa0db9a38>

Structure for #<Metabolite:0x00007f9aa0db9a38>

3D Structure for #<Metabolite:0x00007f9aa0db9a38>