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Showing metabocard for 1,7-Dimethyluric acid (HMDB0011103)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2008-10-16 22:22:16 UTC
Update Date2023-02-21 17:17:26 UTC
HMDB IDHMDB0011103
Secondary Accession Numbers
  • HMDB11103
Metabolite Identification
Common Name1,7-Dimethyluric acid
Description1,7-Dimethyluric acid, also known as 1,7-dimethylate, belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. 1,7-Dimethyluric acid is an extremely weak basic (essentially neutral) compound (based on its pKa). 1,7-Dimethyluric acid exists in all living organisms, ranging from bacteria to humans. 1,7-dimethyluric acid can be biosynthesized from paraxanthine through the action of the enzymes cytochrome P450 1A2 and cytochrome P450 2A6. In humans, 1,7-dimethyluric acid is involved in caffeine metabolism.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0011103 (1,7-Dimethyluric acid)

  Mrv1652309042000332D          

 14 15  0  0  0  0            999 V2000
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
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3D MOL for HMDB0011103 (1,7-Dimethyluric acid)

HMDB0011103
     RDKit          3D
1,7-Dimethyluric acid
 22 23  0  0  0  0  0  0  0  0999 V2000
    2.9176   -1.3850   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.4438   -0.0351 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0255    0.8840   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165    1.2919   -0.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287    1.7870   -0.0840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    1.4079   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398    2.0815   -0.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4247    1.1658    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6666    1.3597    0.0657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8700   -0.0486    0.0588 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682   -1.3197    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5269    0.0491    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5259   -0.8453    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791   -2.0628    0.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094   -2.2780    0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1617   -1.7504   -1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -0.9268    0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    2.8301   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5657    3.1244   -0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.5715   -0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5399   -1.2381    0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9961   -2.1112    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13  2  1  0
 12  6  2  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  7 19  1  0
 11 20  1  0
 11 21  1  0
 11 22  1  0
M  END
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3D SDF for HMDB0011103 (1,7-Dimethyluric acid)

  Mrv1652309042000332D          

 14 15  0  0  0  0            999 V2000
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4534   -0.6979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -2.3479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  2  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0011103

> <DATABASE_NAME>
hmdb

> <SMILES>
CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2

> <INCHI_IDENTIFIER>
InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)

> <INCHI_KEY>
NOFNCLGCUJJPKU-UHFFFAOYSA-N

> <FORMULA>
C7H8N4O3

> <MOLECULAR_WEIGHT>
196.1634

> <EXACT_MASS>
196.059640142

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
18.06105286981368

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,8-dihydroxy-1,7-dimethyl-6,7-dihydro-1H-purin-6-one

> <ALOGPS_LOGP>
-0.81

> <JCHEM_LOGP>
0.47086302666666646

> <ALOGPS_LOGS>
-1.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.480737061798054

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9649633548664176

> <JCHEM_PKA_STRONGEST_BASIC>
-1.8635946742632101

> <JCHEM_POLAR_SURFACE_AREA>
90.95

> <JCHEM_REFRACTIVITY>
48.9246

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.49e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,7-dimethyluric acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0011103 (1,7-Dimethyluric acid)

HMDB0011103
     RDKit          3D
1,7-Dimethyluric acid
 22 23  0  0  0  0  0  0  0  0999 V2000
    2.9176   -1.3850   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -0.4438   -0.0351 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0255    0.8840   -0.0839 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165    1.2919   -0.1315 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287    1.7870   -0.0840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2632    1.4079   -0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4398    2.0815   -0.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4247    1.1658    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6666    1.3597    0.0657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8700   -0.0486    0.0588 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5682   -1.3197    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5269    0.0491    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5259   -0.8453    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2791   -2.0628    0.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094   -2.2780    0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1617   -1.7504   -1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8375   -0.9268    0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2010    2.8301   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5657    3.1244   -0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8500   -1.5715   -0.9442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5399   -1.2381    0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9961   -2.1112    0.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13  2  1  0
 12  6  2  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  5 18  1  0
  7 19  1  0
 11 20  1  0
 11 21  1  0
 11 22  1  0
M  END
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PDB for HMDB0011103 (1,7-Dimethyluric acid)

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  C   UNK     0      -0.744  -4.013   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -0.268  -2.549   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -0.268  -0.057   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.713  -1.303   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       2.530   0.237   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       3.864  -0.533   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.198   0.237   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0       3.864  -2.073   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       2.530  -2.843   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.530  -4.383   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       5.198  -2.843   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4   12                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6                                                       
CONECT    6    5    2    7                                                  
CONECT    7    6                                                            
CONECT    8    4    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   14                                                  
CONECT   12   11    3   13                                                  
CONECT   13   12                                                            
CONECT   14   11                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END
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3D PDB for HMDB0011103 (1,7-Dimethyluric acid)

COMPND    HMDB0011103
HETATM    1  C1  UNL     1       2.918  -1.385  -0.037  1.00  0.00           C  
HETATM    2  N1  UNL     1       1.808  -0.444  -0.035  1.00  0.00           N  
HETATM    3  C2  UNL     1       2.025   0.884  -0.084  1.00  0.00           C  
HETATM    4  O1  UNL     1       3.217   1.292  -0.132  1.00  0.00           O  
HETATM    5  N2  UNL     1       1.029   1.787  -0.084  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.263   1.408  -0.034  1.00  0.00           C  
HETATM    7  N3  UNL     1      -1.440   2.081  -0.022  1.00  0.00           N  
HETATM    8  C4  UNL     1      -2.425   1.166   0.036  1.00  0.00           C  
HETATM    9  O2  UNL     1      -3.667   1.360   0.066  1.00  0.00           O  
HETATM   10  N4  UNL     1      -1.870  -0.049   0.059  1.00  0.00           N  
HETATM   11  C5  UNL     1      -2.568  -1.320   0.120  1.00  0.00           C  
HETATM   12  C6  UNL     1      -0.527   0.049   0.017  1.00  0.00           C  
HETATM   13  C7  UNL     1       0.526  -0.845   0.015  1.00  0.00           C  
HETATM   14  O3  UNL     1       0.279  -2.063   0.061  1.00  0.00           O  
HETATM   15  H1  UNL     1       2.709  -2.278   0.587  1.00  0.00           H  
HETATM   16  H2  UNL     1       3.162  -1.750  -1.055  1.00  0.00           H  
HETATM   17  H3  UNL     1       3.837  -0.927   0.381  1.00  0.00           H  
HETATM   18  H4  UNL     1       1.201   2.830  -0.122  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.566   3.124  -0.052  1.00  0.00           H  
HETATM   20  H6  UNL     1      -2.850  -1.571  -0.944  1.00  0.00           H  
HETATM   21  H7  UNL     1      -3.540  -1.238   0.664  1.00  0.00           H  
HETATM   22  H8  UNL     1      -1.996  -2.111   0.597  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   13
CONECT    3    4    4    5
CONECT    5    6   18
CONECT    6    7   12   12
CONECT    7    8   19
CONECT    8    9    9   10
CONECT   10   11   12
CONECT   11   20   21   22
CONECT   12   13
CONECT   13   14   14
END
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SMILES for HMDB0011103 (1,7-Dimethyluric acid)

CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2
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INCHI for HMDB0011103 (1,7-Dimethyluric acid)

InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1,7-DimethylateGenerator
1,7-Dimethylic acidGenerator
1,7-DimethylurateHMDB
7,9-Dihydro-1,7-dimethyl-1H-purine-2,6,8(3H)-trioneHMDB
1,7-Dimethyluric acidHMDB
Chemical FormulaC7H8N4O3
Average Molecular Weight196.1634
Monoisotopic Molecular Weight196.059640142
IUPAC Name2,8-dihydroxy-1,7-dimethyl-6,7-dihydro-1H-purin-6-one
Traditional Name1,7-dimethyluric acid
CAS Registry Number33868-03-0
SMILES
CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2
InChI Identifier
InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)
InChI KeyNOFNCLGCUJJPKU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyrimidines
Sub ClassPurines and purine derivatives
Direct ParentXanthines
Alternative Parents
Substituents
  • Xanthine
  • 6-oxopurine
  • Purinone
  • Alkaloid or derivatives
  • Pyrimidone
  • Hydroxypyrimidine
  • N-substituted imidazole
  • Pyrimidine
  • Imidazole
  • Azole
  • Heteroaromatic compound
  • Lactam
  • Azacycle
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-MetCCS_train_neg134.05830932474
[M-H]-Not Available134.058http://allccs.zhulab.cn/database/detail?ID=AllCCS00000361
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal adenoma 		details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
UrineDetected and Quantified20.0 (5.7-32.0) umol/mmol creatinineAdult (>18 years old)Both
Asthma		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal adenoma 		details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  2. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Asthma
  1. Zydron M, Baranowski J, Baranowska I: Separation, pre-concentration, and HPLC analysis of methylxanthines in urine samples. J Sep Sci. 2004 Oct;27(14):1166-72. [PubMed:15537072 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB027886
KNApSAcK IDNot Available
Chemspider ID82720
KEGG Compound IDC16356
BioCyc IDCPD-12483
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound91611
PDB IDNot Available
ChEBI ID68449
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000796
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Sinues B, Fanlo A, Mayayo E, Carcas C, Vicente J, Arenaz I, Cebollada A: CYP2A6 activity in a healthy Spanish population: effect of age, sex, smoking, and oral contraceptives. Hum Exp Toxicol. 2008 May;27(5):367-72. doi: 10.1177/0960327107082224. [PubMed:18715882 ]

Enzymes

Enzyme Details
1. Xanthine dehydrogenase/oxidase
General function:
Involved in oxidoreductase activity
Specific function:
Key enzyme in purine degradation. Catalyzes the oxidation of hypoxanthine to xanthine. Catalyzes the oxidation of xanthine to uric acid. Contributes to the generation of reactive oxygen species. Has also low oxidase activity towards aldehydes (in vitro).
Gene Name:
XDH
Uniprot ID:
P47989
Molecular weight:
146422.99
Reactions
Paraxanthine + Oxygen + Water → 1,7-Dimethyluric acid + Hydrogen peroxidedetails
Enzyme Details
2. Cytochrome P450 1A2
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Most active in catalyzing 2-hydroxylation. Caffeine is metabolized primarily by cytochrome CYP1A2 in the liver through an initial N3-demethylation. Also acts in the metabolism of aflatoxin B1 and acetaminophen. Participates in the bioactivation of carcinogenic aromatic and heterocyclic amines. Catalizes the N-hydroxylation of heterocyclic amines and the O-deethylation of phenacetin.
Gene Name:
CYP1A2
Uniprot ID:
P05177
Molecular weight:
58406.915