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Showing metabocard for 2-Hydroxy-3-(4-methoxyphenyl)propanoic acid (HMDB0039427)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:53:27 UTC
Update Date2023-02-21 17:26:56 UTC
HMDB IDHMDB0039427
Secondary Accession Numbers
  • HMDB39427
Metabolite Identification
Common Name2-Hydroxy-3-(4-methoxyphenyl)propanoic acid
Description2-Hydroxy-3-(4-methoxyphenyl)propanoic acid belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. 2-Hydroxy-3-(4-methoxyphenyl)propanoic acid has been detected, but not quantified in, a few different foods, such as breakfast cereal, cereals and cereal products, and ryes (Secale cereale). This could make 2-hydroxy-3-(4-methoxyphenyl)propanoic acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2-Hydroxy-3-(4-methoxyphenyl)propanoic acid.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039427 (2-Hydroxy-3-(4-methoxyphenyl)propanoic acid)

  Mrv1652307171819252D          

 14 14  0  0  0  0            999 V2000
   -0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14  1  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
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3D MOL for HMDB0039427 (2-Hydroxy-3-(4-methoxyphenyl)propanoic acid)

HMDB0039427
     RDKit          3D
2-Hydroxy-3-(4-methoxyphenyl)propanoic acid
 26 26  0  0  0  0  0  0  0  0999 V2000
   -4.7290    0.1923   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7023    0.3124    0.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490    0.3249    0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104    0.2170   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4592    0.2321   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3893    0.3630    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8373    0.3881   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997   -0.9569   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -1.8419   -0.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9742   -0.8325   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302   -1.4614   -1.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7058    0.0101    0.6552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928    0.4770    1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.4545    1.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1953   -0.7986   -0.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4280    0.5434   -1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5485    0.9052    0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729    0.1155   -1.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0421    0.1466   -1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2672    1.0994    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    0.8154   -1.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3134   -1.3540    0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630   -1.4840   -1.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6382    1.0102    0.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5565    0.5807    2.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8901    0.5414    2.5759 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  6 13  1  0
 13 14  2  0
 14  3  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  4 18  1  0
  5 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
 12 24  1  0
 13 25  1  0
 14 26  1  0
M  END
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3D SDF for HMDB0039427 (2-Hydroxy-3-(4-methoxyphenyl)propanoic acid)

  Mrv1652307171819252D          

 14 14  0  0  0  0            999 V2000
   -0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13 10  1  0  0  0  0
 14  1  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039427

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC=C(CC(O)C(O)=O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)

> <INCHI_KEY>
GEDLJGYFEOYKEG-UHFFFAOYSA-N

> <FORMULA>
C10H12O4

> <MOLECULAR_WEIGHT>
196.1999

> <EXACT_MASS>
196.073558872

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
19.79912431093264

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-3-(4-methoxyphenyl)propanoic acid

> <ALOGPS_LOGP>
0.92

> <JCHEM_LOGP>
1.0268255840000002

> <ALOGPS_LOGS>
-1.45

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.207394062903912

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6845370802111317

> <JCHEM_PKA_STRONGEST_BASIC>
-3.830314476296235

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
49.922000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-3-(4-methoxyphenyl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0039427 (2-Hydroxy-3-(4-methoxyphenyl)propanoic acid)

HMDB0039427
     RDKit          3D
2-Hydroxy-3-(4-methoxyphenyl)propanoic acid
 26 26  0  0  0  0  0  0  0  0999 V2000
   -4.7290    0.1923   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7023    0.3124    0.7920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3490    0.3249    0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8104    0.2170   -0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4592    0.2321   -0.9909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3893    0.3630    0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8373    0.3881   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997   -0.9569   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0680   -1.8419   -0.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9742   -0.8325   -0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302   -1.4614   -1.0496 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7058    0.0101    0.6552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0928    0.4770    1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4750    0.4545    1.5697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1953   -0.7986   -0.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4280    0.5434   -1.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5485    0.9052    0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729    0.1155   -1.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0421    0.1466   -1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2672    1.0994    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0517    0.8154   -1.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3134   -1.3540    0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2630   -1.4840   -1.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6382    1.0102    0.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5565    0.5807    2.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8901    0.5414    2.5759 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
  6 13  1  0
 13 14  2  0
 14  3  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  4 18  1  0
  5 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
 12 24  1  0
 13 25  1  0
 14 26  1  0
M  END
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PDB for HMDB0039427 (2-Hydroxy-3-(4-methoxyphenyl)propanoic acid)

HEADER    PROTEIN                                 17-JUL-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUL-18         0                                  
HETATM    1  C   UNK     0      -0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1   14                                                            
CONECT    2    4    7                                                       
CONECT    3    5    7                                                       
CONECT    4    2    8                                                       
CONECT    5    3    8                                                       
CONECT    6    7    9                                                       
CONECT    7    2    3    6                                                  
CONECT    8    4    5   14                                                  
CONECT    9    6   10   11                                                  
CONECT   10    9   12   13                                                  
CONECT   11    9                                                            
CONECT   12   10                                                            
CONECT   13   10                                                            
CONECT   14    1    8                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END
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3D PDB for HMDB0039427 (2-Hydroxy-3-(4-methoxyphenyl)propanoic acid)

COMPND    HMDB0039427
HETATM    1  C1  UNL     1      -4.729   0.192  -0.122  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.702   0.312   0.792  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.349   0.325   0.515  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.810   0.217  -0.742  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.459   0.232  -0.991  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.389   0.363   0.085  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.837   0.388  -0.093  1.00  0.00           C  
HETATM    8  C7  UNL     1       2.500  -0.957  -0.036  1.00  0.00           C  
HETATM    9  O2  UNL     1       2.068  -1.842  -0.985  1.00  0.00           O  
HETATM   10  C8  UNL     1       3.974  -0.832  -0.184  1.00  0.00           C  
HETATM   11  O3  UNL     1       4.630  -1.461  -1.050  1.00  0.00           O  
HETATM   12  O4  UNL     1       4.706   0.010   0.655  1.00  0.00           O  
HETATM   13  C9  UNL     1      -0.093   0.477   1.386  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.475   0.454   1.570  1.00  0.00           C  
HETATM   15  H1  UNL     1      -5.195  -0.799  -0.180  1.00  0.00           H  
HETATM   16  H2  UNL     1      -4.428   0.543  -1.143  1.00  0.00           H  
HETATM   17  H3  UNL     1      -5.549   0.905   0.184  1.00  0.00           H  
HETATM   18  H4  UNL     1      -2.473   0.116  -1.574  1.00  0.00           H  
HETATM   19  H5  UNL     1      -0.042   0.147  -1.983  1.00  0.00           H  
HETATM   20  H6  UNL     1       2.267   1.099   0.639  1.00  0.00           H  
HETATM   21  H7  UNL     1       2.052   0.815  -1.107  1.00  0.00           H  
HETATM   22  H8  UNL     1       2.313  -1.354   1.000  1.00  0.00           H  
HETATM   23  H9  UNL     1       2.263  -1.484  -1.875  1.00  0.00           H  
HETATM   24  H10 UNL     1       4.638   1.010   0.417  1.00  0.00           H  
HETATM   25  H11 UNL     1       0.556   0.581   2.245  1.00  0.00           H  
HETATM   26  H12 UNL     1      -1.890   0.541   2.576  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3
CONECT    3    4    4   14
CONECT    4    5   18
CONECT    5    6    6   19
CONECT    6    7   13
CONECT    7    8   20   21
CONECT    8    9   10   22
CONECT    9   23
CONECT   10   11   11   12
CONECT   12   24
CONECT   13   14   14   25
CONECT   14   26
END
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SMILES for HMDB0039427 (2-Hydroxy-3-(4-methoxyphenyl)propanoic acid)

COC1=CC=C(CC(O)C(O)=O)C=C1
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INCHI for HMDB0039427 (2-Hydroxy-3-(4-methoxyphenyl)propanoic acid)

InChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-Hydroxy-3-(4-methoxyphenyl)propanoateGenerator
2-Hydroxy-4'-methoxyphloretateGenerator
Chemical FormulaC10H12O4
Average Molecular Weight196.1999
Monoisotopic Molecular Weight196.073558872
IUPAC Name2-hydroxy-3-(4-methoxyphenyl)propanoic acid
Traditional Name2-hydroxy-3-(4-methoxyphenyl)propanoic acid
CAS Registry Number28030-15-1
SMILES
COC1=CC=C(CC(O)C(O)=O)C=C1
InChI Identifier
InChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChI KeyGEDLJGYFEOYKEG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassPhenylpropanoic acids
Sub ClassNot Available
Direct ParentPhenylpropanoic acids
Alternative Parents
Substituents
  • 3-phenylpropanoic-acid
  • Phenoxy compound
  • Anisole
  • Phenol ether
  • Methoxybenzene
  • Alkyl aryl ether
  • Alpha-hydroxy acid
  • Monocyclic benzene moiety
  • Hydroxy acid
  • Benzenoid
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alcohol
  • Carbonyl group
  • Organic oxygen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point104 - 105 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility39090 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB019022
KNApSAcK IDNot Available
Chemspider ID14060380
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14868260
PDB IDNot Available
ChEBI ID173970
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1622281
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details
1. Sulfotransferase family cytosolic 2B member 1
General function:
Involved in sulfotransferase activity
Specific function:
Sulfotransferase that utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as sulfonate donor to catalyze the sulfate conjugation of many hormones, neurotransmitters, drugs and xenobiotic compounds. Sulfonation increases the water solubility of most compounds, and therefore their renal excretion, but it can also result in bioactivation to form active metabolites. Sulfates hydroxysteroids like DHEA. Isoform 1 preferentially sulfonates cholesterol, and isoform 2 avidly sulfonates pregnenolone but not cholesterol.
Gene Name:
SULT2B1
Uniprot ID:
O00204
Molecular weight:
39598.595
Reactions
2-Hydroxy-3-(4-methoxyphenyl)propanoic acid → 3-(4-methoxyphenyl)-2-(sulfooxy)propanoic aciddetails
Enzyme Details
2. 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
Reactions
2-Hydroxy-3-(4-methoxyphenyl)propanoic acid → 6-[1-carboxy-2-(4-methoxyphenyl)ethoxy]-3,4,5-trihydroxyoxane-2-carboxylic aciddetails
2-Hydroxy-3-(4-methoxyphenyl)propanoic acid → 3,4,5-trihydroxy-6-{[2-hydroxy-3-(4-methoxyphenyl)propanoyl]oxy}oxane-2-carboxylic aciddetails