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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (6) Show 6 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-08-13 08:22:14 UTC

Update Date

2021-09-14 15:39:01 UTC

HMDB ID

HMDB0003976

Secondary Accession Numbers

HMDB0006329
HMDB03976
HMDB06329

Metabolite Identification

Common Name

D-Glucuronic acid 1-phosphate

Description

D-Glucuronic acid 1-phosphate is an end product of the UDP-glucuronic acid pathway. Formation of free glucuronic acid from UDP-glucuronic acid can be considered as the first step in the synthesis of vitamin C, a pathway that occurs in most vertebrates, although not in guinea pigs and primates, including humans. Free glucuronic acid can also be converted to pentose phosphate intermediates via the 'pentose pathway'. The latter is interrupted in subjects with pentosuria, who have a deficiency in l-xylulose reductase (EC 1.1.1.10, an enzyme that belongs to the short-chain dehydrogenase/reductase family) and excrete abnormal amounts of l-xylulose. Some xenobiotics stimulate the formation of vitamin C in animals and enhance the excretion of l-xylulose in humans with pentosuria and have shown that aminopyrine, metyrapone and other xenobiotics cause an almost instantaneous increase in the conversion of UDP-glucuronic acid to glucuronic acid. It is usually stated that glucuronic acid formation from UDP-glucuronic acid is the result of two successive reactions comprising the hydrolysis of UDP-glucuronic acid to glucuronic acid 1-phosphate and UMP by nucleotide pyrophosphatase (E-NPP3, EC 3.6.1.9), followed by dephosphorylation of glucuronic acid 1-phosphate. Glucuronidation is responsible for conjugating potentially toxic lipophilic compounds with glucuronic acid, thereby producing molecules with greater aqueous solubility that is excreted more readily into urine and bile. The rate at which any compound may be glucuronidated depends on the concentration and activity of the UDP-glucuronosyltransferases as well as the concentration of the cofactor UDP-glucuronic acid. UDP-glucuronic acid is formed after oxidation of UDP-glucose by UDP-glucose dehydrogenase (UGDH, EC 1.1.1.22) with NAD as the electron acceptor. UDP-glucuronic acid may then be either used as the glucuronic acid donor for xenobiotic conjugation reactions by UDPglucuronosyltransferases (GlcAT-P, EC 2.4.1.17), or degraded to D-glucuronic acid 1-phosphate after the phosphodiester bond is cleaved by E-NPP3. E-NPP3 is the same enzyme that further reduces D-Glucuronic acid 1-phosphate to free D-glucuronic acid. Decreases in UDP-glucuronic acid concentration may be due to reduced availability of UDP-glucose or decreased UGDH activity or to increased activities of GlcAT-P or E-NPP3. Exposure to volatile anesthetics reduces hepatic UDP-glucuronic acid concentrations, and alters the rate of conjugation of compounds such as acetaminophen, bilirubin, diethylstilbestrol, iopanoic acid and valproic acid in a non-sex-dependent fashion in experimental mice. The depletion of UDP-glucuronic acid by anesthetics is caused by altered activity of microsomal E-NPP3. (PMID: 2167093 , 16689937 , 1276 ).

Structure

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

HMDB0003976
     RDKit          3D
D-Glucuronic acid 1-phosphate
 28 28  0  0  0  0  0  0  0  0999 V2000
   -3.2800    1.9976    0.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1265    1.9284    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    3.0525    0.3731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819    0.7030   -0.3198 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3033    0.8857   -0.7574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555    0.1216   -0.1565 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8372    0.3132   -0.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758    0.9538    0.0123 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.5944    1.7378    1.1846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9855    1.9775   -1.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402   -0.2840    0.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741   -1.3684   -0.2196 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9040   -1.9452   -1.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -1.6680   -0.2120 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4204   -2.8709    0.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7694   -0.5160    0.5524 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1315   -0.7895    0.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848    3.9344   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221    0.5212   -1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024    0.4378    0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5053    2.8230   -1.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6575   -1.1338    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7978   -1.8805    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911   -2.4777   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -1.5951   -1.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587   -3.3957   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3331   -0.4101    1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3974   -1.0527    1.5568 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  6 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16  4  1  0
  3 18  1  0
  4 19  1  6
  6 20  1  1
 10 21  1  0
 11 22  1  0
 12 23  1  1
 13 24  1  0
 14 25  1  6
 15 26  1  0
 16 27  1  1
 17 28  1  0
M  END


  Mrv1652307162000082D          

 17 17  0  0  0  0            999 V2000
10000.4111 9999.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.409810000.5015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.1258 9999.2640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.4107 9998.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9815 9997.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5524 9998.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9811 9999.6758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2667 9999.2633    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.2667 9998.4383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.9811 9998.0259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.6956 9998.4383    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.6956 9999.2633    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.5524 9999.6759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.552410000.5008    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9998.377210000.4995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.834110000.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.964610001.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
 12  1  1  6  0  0  0
 11  4  1  1  0  0  0
 10  5  1  6  0  0  0
  9  6  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
  8 13  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0003976

> <DATABASE_NAME>
hmdb

> <SMILES>
O[C@@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6+/m0/s1

> <INCHI_KEY>
AIQDYKMWENWVQJ-QIUUJYRFSA-N

> <FORMULA>
C6H11O10P

> <MOLECULAR_WEIGHT>
274.1193

> <EXACT_MASS>
274.008983084

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
20.66396260938168

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-1.69

> <JCHEM_LOGP>
-2.7358307113333336

> <ALOGPS_LOGS>
-0.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.306138395499081

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.149939048571916

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6871396416133315

> <JCHEM_POLAR_SURFACE_AREA>
173.98

> <JCHEM_REFRACTIVITY>
46.6637

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.38e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-phospho-α-D-glucuronic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003976
     RDKit          3D
D-Glucuronic acid 1-phosphate
 28 28  0  0  0  0  0  0  0  0999 V2000
   -3.2800    1.9976    0.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1265    1.9284    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    3.0525    0.3731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819    0.7030   -0.3198 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3033    0.8857   -0.7574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555    0.1216   -0.1565 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8372    0.3132   -0.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758    0.9538    0.0123 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.5944    1.7378    1.1846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9855    1.9775   -1.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402   -0.2840    0.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741   -1.3684   -0.2196 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9040   -1.9452   -1.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -1.6680   -0.2120 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4204   -2.8709    0.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7694   -0.5160    0.5524 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1315   -0.7895    0.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848    3.9344   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221    0.5212   -1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024    0.4378    0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5053    2.8230   -1.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6575   -1.1338    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7978   -1.8805    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911   -2.4777   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -1.5951   -1.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587   -3.3957   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3331   -0.4101    1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3974   -1.0527    1.5568 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  6 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16  4  1  0
  3 18  1  0
  4 19  1  6
  6 20  1  1
 10 21  1  0
 11 22  1  0
 12 23  1  1
 13 24  1  0
 14 25  1  6
 15 26  1  0
 16 27  1  1
 17 28  1  0
M  END

HEADER    PROTEIN                                 16-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-JUL-20         0                                  
HETATM    1  C   UNK     0    8667.4348666.063   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8667.4328667.603   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8668.7688665.293   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8667.4338662.981   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8664.7668661.441   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8662.0988662.981   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8664.7658666.061   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0    8663.4318665.292   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8663.4318663.751   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8664.7658662.982   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8666.0988663.751   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8666.0988665.292   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    8662.0988666.062   0.000  0.00  0.00           O+0
HETATM   14  P   UNK     0    8662.0988667.602   0.000  0.00  0.00           P+0
HETATM   15  O   UNK     0    8663.6378667.599   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8660.7578668.376   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    8662.8678668.933   0.000  0.00  0.00           O+0
CONECT    1    2    3   12                                                  
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4   11                                                            
CONECT    5   10                                                            
CONECT    6    9                                                            
CONECT    7    8   12                                                       
CONECT    8    9    7   13                                                  
CONECT    9    8   10    6                                                  
CONECT   10    9   11    5                                                  
CONECT   11   10   12    4                                                  
CONECT   12   11    7    1                                                  
CONECT   13   14    8                                                       
CONECT   14   13   15   16   17                                             
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   14                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   34    0
END

COMPND    HMDB0003976
HETATM    1  O1  UNL     1      -3.280   1.998   0.783  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.126   1.928   0.309  1.00  0.00           C  
HETATM    3  O2  UNL     1      -1.314   3.053   0.373  1.00  0.00           O  
HETATM    4  C2  UNL     1      -1.582   0.703  -0.320  1.00  0.00           C  
HETATM    5  O3  UNL     1      -0.303   0.886  -0.757  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.655   0.122  -0.157  1.00  0.00           C  
HETATM    7  O4  UNL     1       1.837   0.313  -0.912  1.00  0.00           O  
HETATM    8  P1  UNL     1       3.076   0.954   0.012  1.00  0.00           P  
HETATM    9  O5  UNL     1       2.594   1.738   1.185  1.00  0.00           O  
HETATM   10  O6  UNL     1       3.985   1.978  -1.000  1.00  0.00           O  
HETATM   11  O7  UNL     1       4.140  -0.284   0.506  1.00  0.00           O  
HETATM   12  C4  UNL     1       0.374  -1.368  -0.220  1.00  0.00           C  
HETATM   13  O8  UNL     1       0.904  -1.945  -1.379  1.00  0.00           O  
HETATM   14  C5  UNL     1      -1.105  -1.668  -0.212  1.00  0.00           C  
HETATM   15  O9  UNL     1      -1.420  -2.871   0.376  1.00  0.00           O  
HETATM   16  C6  UNL     1      -1.769  -0.516   0.552  1.00  0.00           C  
HETATM   17  O10 UNL     1      -3.132  -0.789   0.630  1.00  0.00           O  
HETATM   18  H1  UNL     1      -1.585   3.934  -0.050  1.00  0.00           H  
HETATM   19  H2  UNL     1      -2.222   0.521  -1.234  1.00  0.00           H  
HETATM   20  H3  UNL     1       0.802   0.438   0.889  1.00  0.00           H  
HETATM   21  H4  UNL     1       3.505   2.823  -1.167  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.658  -1.134   0.675  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.798  -1.880   0.691  1.00  0.00           H  
HETATM   24  H7  UNL     1       1.691  -2.478  -1.111  1.00  0.00           H  
HETATM   25  H8  UNL     1      -1.493  -1.595  -1.268  1.00  0.00           H  
HETATM   26  H9  UNL     1      -1.959  -3.396  -0.296  1.00  0.00           H  
HETATM   27  H10 UNL     1      -1.333  -0.410   1.543  1.00  0.00           H  
HETATM   28  H11 UNL     1      -3.397  -1.053   1.557  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   18
CONECT    4    5   16   19
CONECT    5    6
CONECT    6    7   12   20
CONECT    7    8
CONECT    8    9    9   10   11
CONECT   10   21
CONECT   11   22
CONECT   12   13   14   23
CONECT   13   24
CONECT   14   15   16   25
CONECT   15   26
CONECT   16   17   27
CONECT   17   28
END

HMDB0003976
     RDKit          3D
D-Glucuronic acid 1-phosphate
 28 28  0  0  0  0  0  0  0  0999 V2000
   -3.2800    1.9976    0.7832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1265    1.9284    0.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    3.0525    0.3731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5819    0.7030   -0.3198 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3033    0.8857   -0.7574 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6555    0.1216   -0.1565 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8372    0.3132   -0.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0758    0.9538    0.0123 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.5944    1.7378    1.1846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9855    1.9775   -1.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1402   -0.2840    0.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3741   -1.3684   -0.2196 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9040   -1.9452   -1.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1049   -1.6680   -0.2120 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4204   -2.8709    0.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7694   -0.5160    0.5524 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1315   -0.7895    0.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5848    3.9344   -0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2221    0.5212   -1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8024    0.4378    0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5053    2.8230   -1.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6575   -1.1338    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7978   -1.8805    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911   -2.4777   -1.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4929   -1.5951   -1.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587   -3.3957   -0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3331   -0.4101    1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3974   -1.0527    1.5568 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
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  8 11  1  0
  6 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16  4  1  0
  3 18  1  0
  4 19  1  6
  6 20  1  1
 10 21  1  0
 11 22  1  0
 12 23  1  1
 13 24  1  0
 14 25  1  6
 15 26  1  0
 16 27  1  1
 17 28  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-Phospho-alpha-D-glucuronate	ChEBI, KEGG
1-Phospho-a-D-glucuronate	Generator
1-Phospho-a-D-glucuronic acid	Generator
1-Phospho-alpha-D-glucuronic acid	Generator
1-Phospho-α-D-glucuronate	Generator
1-Phospho-α-D-glucuronic acid	Generator
D-Glucuronic acid 1-phosphoric acid	Generator
alpha-D-Glucopyranuronic acid 1-phosphate	HMDB
alpha-D-Glucuronic acid 1-phosphate	HMDB
α-D-Glucopyranuronic acid 1-phosphate	HMDB
α-D-Glucuronic acid 1-phosphate	HMDB
D-Glucuronate 1-phosphate	HMDB

Chemical Formula

C₆H₁₁O₁₀P

Average Molecular Weight

274.1193

Monoisotopic Molecular Weight

274.008983084

IUPAC Name

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(phosphonooxy)oxane-2-carboxylic acid

Traditional Name

1-phospho-α-D-glucuronic acid

CAS Registry Number

13168-11-1

SMILES

O[C@@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O

InChI Identifier

InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6+/m0/s1

InChI Key

AIQDYKMWENWVQJ-QIUUJYRFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Glucuronic acid derivatives

Alternative Parents

Substituents

Glucuronic acid or derivatives
Hexose monosaccharide
Monosaccharide phosphate
Beta-hydroxy acid
Monoalkyl phosphate
Hydroxy acid
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Pyran
Alkyl phosphate
Secondary alcohol
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Oxacycle
Carboxylic acid derivative
Polyol
Carboxylic acid
Alcohol
Organic oxide
Carbonyl group
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

glucuronic acids (CHEBI:16787 )
D-glucuronic acid 1-phosphate (CHEBI:16787 )

Ontology

Not Available

Placenta (HMDB: HMDB0003976)

Source

Endogenous

Endogenous (HMDB: HMDB0003976)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Anatidae (FooDB: FOOD00576)
Quail (FooDB: FOOD00541)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Emu (FooDB: FOOD00360)
Mallard duck (FooDB: FOOD00353)
Guinea hen (FooDB: FOOD00373)
Greylag goose (FooDB: FOOD00368)
Velvet duck (FooDB: FOOD00427)
Ostrich (FooDB: FOOD00422)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-3.441	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	33.8 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-2.7	ChemAxon
logS	-0.91	ALOGPS
pKa (Strongest Acidic)	1.15	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	173.98 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	46.66 m³·mol⁻¹	ChemAxon
Polarizability	20.66 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	153.814	30932474
DeepCCS	[M-H]-	151.456	30932474
DeepCCS	[M-2H]-	185.735	30932474
DeepCCS	[M+Na]+	160.582	30932474
AllCCS	[M+H]+	158.9	32859911
AllCCS	[M+H-H2O]+	155.3	32859911
AllCCS	[M+NH4]+	162.2	32859911
AllCCS	[M+Na]+	163.1	32859911
AllCCS	[M-H]-	147.0	32859911
AllCCS	[M+Na-2H]-	147.1	32859911
AllCCS	[M+HCOO]-	147.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-Glucuronic acid 1-phosphate	O[C@@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O	3310.6	Standard polar	33892256
D-Glucuronic acid 1-phosphate	O[C@@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O	2065.1	Standard non polar	33892256
D-Glucuronic acid 1-phosphate	O[C@@H]1[C@@H](O)[C@@H](OP(O)(O)=O)O[C@@H]([C@H]1O)C(O)=O	2305.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-Glucuronic acid 1-phosphate,1TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@@H]1O	2208.3	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@H]1OP(=O)(O)O	2193.2	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2189.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,1TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O	2189.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,1TMS,isomer #5	C[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	2287.5	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C	2186.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2233.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #11	C[Si](C)(C)OP(=O)(O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	2280.2	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2162.9	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2195.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O	2244.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H]1O	2168.9	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2138.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@H]1OP(=O)(O)O[Si](C)(C)C	2234.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2159.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O	2234.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2182.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2152.9	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2195.2	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2160.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	2186.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2174.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #2	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C	2205.9	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2195.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2182.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2197.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2207.3	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	2219.5	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2187.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2193.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2206.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2212.1	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2213.1	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2240.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2243.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2259.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2237.5	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2260.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2269.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2246.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2266.3	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2241.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2286.8	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2713.4	Standard polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2264.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2304.9	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2613.5	Standard polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2273.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2260.8	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2608.1	Standard polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=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]1O	2266.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=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]1O	2298.5	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=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]1O	2614.3	Standard polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2274.1	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2315.6	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2603.6	Standard polar	33892256
D-Glucuronic acid 1-phosphate,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=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]1O[Si](C)(C)C	2281.1	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=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]1O[Si](C)(C)C	2346.4	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=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]1O[Si](C)(C)C	2548.8	Standard polar	33892256
D-Glucuronic acid 1-phosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@@H]1O	2476.3	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@H]1OP(=O)(O)O	2461.5	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O	2458.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O	2465.1	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	2528.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2590.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2687.2	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2690.1	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2643.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	2595.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2668.9	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2586.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2628.9	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	2665.2	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2634.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2655.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2796.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	2837.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2832.2	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2838.5	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2819.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2830.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	2787.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2817.9	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2800.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2839.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	2832.9	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O	2842.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	2816.3	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2829.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3023.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3023.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3022.3	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3026.7	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3032.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3030.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3027.3	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3034.1	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3042.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3040.4	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3047.5	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3245.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3160.1	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3133.6	Standard polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3232.8	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3142.8	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3069.7	Standard polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3244.6	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3104.0	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3062.7	Standard polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3241.1	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3143.9	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3068.1	Standard polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3247.0	Semi standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3156.8	Standard non polar	33892256
D-Glucuronic acid 1-phosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3062.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-Glucuronic acid 1-phosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 10V, Negative-QTOF	splash10-00ba-8490000000-7aed75149e827a03b801	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 20V, Negative-QTOF	splash10-004i-9120000000-c1cdbefdc591a7e80d99	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-02e243f8d2948341d2a9	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 10V, Negative-QTOF	splash10-0fk9-0090000000-f9485fc0fb9477326e2d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 20V, Negative-QTOF	splash10-00b9-9140000000-ea3dadd517f752f9daaf	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-d9fcbd0ec08c7114bac6	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 10V, Positive-QTOF	splash10-0002-9260000000-e3140542aa00c07f3aad	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 20V, Positive-QTOF	splash10-0002-9260000000-570321482d4c1394eb2c	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 40V, Positive-QTOF	splash10-0002-9300000000-93bcc7e4965f3a288589	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 10V, Positive-QTOF	splash10-004i-0190000000-3a3fdb163bada8209462	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 20V, Positive-QTOF	splash10-056r-1930000000-f91a54daa80821b2c234	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-Glucuronic acid 1-phosphate 40V, Positive-QTOF	splash10-022a-9100000000-7967fdd11ad9f3bb95c6	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Placenta

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023278

KNApSAcK ID

Not Available

Chemspider ID

388541

KEGG Compound ID

C05385

BioCyc ID

CPD-510

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

439432

PDB ID

Not Available

ChEBI ID

16787

Food Biomarker Ontology

Not Available

VMH ID

GLCUR1P

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Heeres, Andre; Van Doren, Henk A.; Gotlieb, Kees F.; Bleeker, Ido P. Synthesis of a- and b-D-glucopyranuronate 1-phosphate and a-D-glucopyranuronate 1-fluoride: intermediates in the synthesis of D-glucuronic acid from starch. Carbohydrate Research (1997), 299(4), 221-227.

Material Safety Data Sheet (MSDS)

Not Available

General References

Watkins JB 3rd, Engles DR, Beck LV: Effect of volatile anesthetics on the hepatic UDP-glucuronic acid pathway in mice. Biochem Pharmacol. 1990 Aug 15;40(4):731-5. [PubMed:2167093 ]
Linster CL, Van Schaftingen E: Glucuronate, the precursor of vitamin C, is directly formed from UDP-glucuronate in liver. FEBS J. 2006 Apr;273(7):1516-27. [PubMed:16689937 ]
Puhakainen E, Hanninen O: Pyrophosphatase and glucuronosyltransferase in microsomal UDPglucuronic-acid metabolism in the rat liver. Eur J Biochem. 1976 Jan 2;61(1):165-9. [PubMed:1276 ]
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 ]

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 2B4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:: UGT2B4
Uniprot ID:: P06133
Molecular weight:: 60512.035

Enzyme Details

2. UDP-glucuronosyltransferase 1-4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:: UGT1A4
Uniprot ID:: P22310
Molecular weight:: 60024.535

Enzyme Details

3. UDP-glucuronosyltransferase 2B7

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:: UGT2B7
Uniprot ID:: P16662
Molecular weight:: 60720.15

Enzyme Details

4. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Enzyme Details

5. UDP-glucuronosyltransferase 1-9

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:: UGT1A9
Uniprot ID:: O60656
Molecular weight:: 59940.495

Enzyme Details

6. UDP-glucuronosyltransferase 1-6

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:: UGT1A6
Uniprot ID:: P19224
Molecular weight:: 60750.215

Showing metabocard for D-Glucuronic acid 1-phosphate (HMDB0003976)

MOL for HMDB0003976 (D-Glucuronic acid 1-phosphate)

3D MOL for HMDB0003976 (D-Glucuronic acid 1-phosphate)

3D SDF for HMDB0003976 (D-Glucuronic acid 1-phosphate)

3D-SDF for HMDB0003976 (D-Glucuronic acid 1-phosphate)

PDB for HMDB0003976 (D-Glucuronic acid 1-phosphate)

3D PDB for HMDB0003976 (D-Glucuronic acid 1-phosphate)

SMILES for HMDB0003976 (D-Glucuronic acid 1-phosphate)

INCHI for HMDB0003976 (D-Glucuronic acid 1-phosphate)

Structure for HMDB0003976 (D-Glucuronic acid 1-phosphate)

3D Structure for HMDB0003976 (D-Glucuronic acid 1-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes