Hmdb loader

Showing metabocard for Dyspropterin (HMDB0001195)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (2) Show 2 proteinsXML
enzymes (2) Show 2 proteins
Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:46:28 UTC
HMDB IDHMDB0001195
Secondary Accession Numbers
  • HMDB01195
Metabolite Identification
Common NameDyspropterin
DescriptionDyspropterin belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. Dyspropterin exists in all living organisms, ranging from bacteria to humans. In humans, dyspropterin is involved in the metabolic disorder called hyperphenylalaninemia due to 6-pyruvoyltetrahydropterin synthase deficiency (ptps). Dyspropterin has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make dyspropterin a potential biomarker for the consumption of these foods. Dyspropterin is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on Dyspropterin.
Structure
Data?1582752183
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001195 (Dyspropterin)

6459
  Mrv1652308201820142D          

 17 18  0  0  1  0            999 V2000
    9.5287   -8.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4162   -8.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1175  -10.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9725   -9.1162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287  -10.7662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9725  -10.7662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8275   -9.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1262  -10.7662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2712   -9.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2712  -10.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287   -9.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7150   -9.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8275  -10.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4162   -9.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7150  -10.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1175   -9.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8187   -9.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
Download

3D MOL for HMDB0001195 (Dyspropterin)

HMDB0001195
     RDKit          3D
Dyspropterin
 28 29  0  0  0  0  0  0  0  0999 V2000
   -4.7734    0.0653   -0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4718   -0.1727    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    0.0090    1.8419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3332   -0.5995   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4541   -0.7645   -1.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454   -0.8288    0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7016    0.3927    1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243    0.6046    1.4611 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019    0.3658    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723    1.0094    0.2017 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5884    0.7714   -0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    1.4555   -0.9971 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357   -0.1425   -1.7481 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698   -0.8327   -1.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7231   -1.6953   -2.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2317   -0.5744   -0.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005   -1.2499   -0.3853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6319   -0.2657    0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8656   -0.5082   -1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9415    1.1350   -0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2258   -1.6895    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519    1.3108    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485    0.2547    2.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    0.9358    2.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7546    1.0365   -0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7813    2.4551   -1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8443   -0.3631   -2.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434   -2.1147   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17  6  1  0
 16  9  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
 12 25  1  0
 12 26  1  0
 13 27  1  0
 17 28  1  0
M  END
Download

3D SDF for HMDB0001195 (Dyspropterin)

6459
  Mrv1652308201820142D          

 17 18  0  0  1  0            999 V2000
    9.5287   -8.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4162   -8.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1175  -10.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9725   -9.1162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287  -10.7662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9725  -10.7662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8275   -9.5287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1262  -10.7662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2712   -9.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2712  -10.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5287   -9.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7150   -9.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8275  -10.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4162   -9.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7150  -10.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1175   -9.5287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8187   -9.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 14  2  0  0  0  0
  3 16  2  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 13  2  0  0  0  0
  6 10  1  0  0  0  0
  6 15  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001195

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2

> <INCHI_IDENTIFIER>
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)

> <INCHI_KEY>
WBJZXBUVECZHCE-UHFFFAOYSA-N

> <FORMULA>
C9H11N5O3

> <MOLECULAR_WEIGHT>
237.2153

> <EXACT_MASS>
237.086189243

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
28

> <JCHEM_AVERAGE_POLARIZABILITY>
21.979402700271507

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)propane-1,2-dione

> <ALOGPS_LOGP>
-1.01

> <JCHEM_LOGP>
-1.168246792333333

> <ALOGPS_LOGS>
-2.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.42365416809001

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.806759495528606

> <JCHEM_PKA_STRONGEST_BASIC>
1.8215361590403678

> <JCHEM_POLAR_SURFACE_AREA>
125.68

> <JCHEM_REFRACTIVITY>
67.0166

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.47e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)propane-1,2-dione

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0001195 (Dyspropterin)

HMDB0001195
     RDKit          3D
Dyspropterin
 28 29  0  0  0  0  0  0  0  0999 V2000
   -4.7734    0.0653   -0.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4718   -0.1727    0.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    0.0090    1.8419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3332   -0.5995   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4541   -0.7645   -1.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454   -0.8288    0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7016    0.3927    1.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7243    0.6046    1.4611 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019    0.3658    0.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7723    1.0094    0.2017 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5884    0.7714   -0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8148    1.4555   -0.9971 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2357   -0.1425   -1.7481 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0698   -0.8327   -1.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7231   -1.6953   -2.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2317   -0.5744   -0.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0005   -1.2499   -0.3853 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6319   -0.2657    0.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8656   -0.5082   -1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9415    1.1350   -0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2258   -1.6895    1.2048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1519    1.3108    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485    0.2547    2.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1617    0.9358    2.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7546    1.0365   -0.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7813    2.4551   -1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8443   -0.3631   -2.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1434   -2.1147   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17  6  1  0
 16  9  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
 12 25  1  0
 12 26  1  0
 13 27  1  0
 17 28  1  0
M  END
Download

PDB for HMDB0001195 (Dyspropterin)

HEADER    PROTEIN                                 20-AUG-18   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 6459                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-AUG-18         0                                  
HETATM    1  O   UNK     0      17.787 -15.477   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      23.177 -15.477   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      24.486 -19.327   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0      20.482 -17.017   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0      17.787 -20.097   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0      20.482 -20.097   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      16.478 -17.787   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      15.169 -20.097   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      19.173 -17.787   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      19.173 -19.327   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      17.787 -17.017   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.868 -17.787   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      16.478 -19.327   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      23.177 -17.017   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.868 -19.327   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      24.486 -17.787   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      25.795 -17.017   0.000  0.00  0.00           C+0
CONECT    1   11                                                            
CONECT    2   14                                                            
CONECT    3   16                                                            
CONECT    4    9   12                                                       
CONECT    5   10   13                                                       
CONECT    6   10   15                                                       
CONECT    7   11   13                                                       
CONECT    8   13                                                            
CONECT    9    4   10   11                                                  
CONECT   10    5    6    9                                                  
CONECT   11    1    7    9                                                  
CONECT   12    4   14   15                                                  
CONECT   13    5    7    8                                                  
CONECT   14    2   12   16                                                  
CONECT   15    6   12                                                       
CONECT   16    3   14   17                                                  
CONECT   17   16                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END
Download

3D PDB for HMDB0001195 (Dyspropterin)

COMPND    HMDB0001195
HETATM    1  C1  UNL     1      -4.773   0.065  -0.070  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.472  -0.173   0.601  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.416   0.009   1.842  1.00  0.00           O  
HETATM    4  C3  UNL     1      -2.333  -0.600  -0.193  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.454  -0.764  -1.431  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.045  -0.829   0.504  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.702   0.393   1.305  1.00  0.00           C  
HETATM    8  N1  UNL     1       0.724   0.605   1.461  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.602   0.366   0.369  1.00  0.00           C  
HETATM   10  N2  UNL     1       2.772   1.009   0.202  1.00  0.00           N  
HETATM   11  C7  UNL     1       3.588   0.771  -0.835  1.00  0.00           C  
HETATM   12  N3  UNL     1       4.815   1.456  -0.997  1.00  0.00           N  
HETATM   13  N4  UNL     1       3.236  -0.143  -1.748  1.00  0.00           N  
HETATM   14  C8  UNL     1       2.070  -0.833  -1.647  1.00  0.00           C  
HETATM   15  O3  UNL     1       1.723  -1.695  -2.497  1.00  0.00           O  
HETATM   16  C9  UNL     1       1.232  -0.574  -0.564  1.00  0.00           C  
HETATM   17  N5  UNL     1       0.001  -1.250  -0.385  1.00  0.00           N  
HETATM   18  H1  UNL     1      -5.632  -0.266   0.565  1.00  0.00           H  
HETATM   19  H2  UNL     1      -4.866  -0.508  -1.015  1.00  0.00           H  
HETATM   20  H3  UNL     1      -4.942   1.135  -0.312  1.00  0.00           H  
HETATM   21  H4  UNL     1      -1.226  -1.689   1.205  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.152   1.311   0.872  1.00  0.00           H  
HETATM   23  H6  UNL     1      -1.148   0.255   2.328  1.00  0.00           H  
HETATM   24  H7  UNL     1       1.162   0.936   2.363  1.00  0.00           H  
HETATM   25  H8  UNL     1       5.755   1.037  -0.851  1.00  0.00           H  
HETATM   26  H9  UNL     1       4.781   2.455  -1.285  1.00  0.00           H  
HETATM   27  H10 UNL     1       3.844  -0.363  -2.579  1.00  0.00           H  
HETATM   28  H11 UNL     1      -0.143  -2.115  -0.947  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    3    4
CONECT    4    5    5    6
CONECT    6    7   17   21
CONECT    7    8   22   23
CONECT    8    9   24
CONECT    9   10   16   16
CONECT   10   11   11
CONECT   11   12   13
CONECT   12   25   26
CONECT   13   14   27
CONECT   14   15   15   16
CONECT   16   17
CONECT   17   28
END
Download

SMILES for HMDB0001195 (Dyspropterin)

CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2
Download

INCHI for HMDB0001195 (Dyspropterin)

InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
6-(1,2-Dioxopropyl)-5,6,7,8-tetrahydropterinChEBI
6-Pyruvoyl-5,6,7,8-tetrahydropterinChEBI
6-PyruvoyltetrahydropterinChEBI
6-Pyruvoyl-tetrahydropterinHMDB
6-Pyruvoyl tetrahydropteridineMeSH, HMDB
Pyruvoyl-H4-pterinMeSH, HMDB
Chemical FormulaC9H11N5O3
Average Molecular Weight237.2153
Monoisotopic Molecular Weight237.086189243
IUPAC Name1-(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)propane-1,2-dione
Traditional Name1-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)propane-1,2-dione
CAS Registry Number89687-39-8
SMILES
CC(=O)C(=O)C1CNC2=C(N1)C(=O)NC(N)=N2
InChI Identifier
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)
InChI KeyWBJZXBUVECZHCE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassPterins and derivatives
Direct ParentPterins and derivatives
Alternative Parents
Substituents
  • Pterin
  • Hydroxypyrimidine
  • Secondary aliphatic/aromatic amine
  • Alpha-diketone
  • Beta-aminoketone
  • Gamma-aminoketone
  • Pyrimidine
  • Alpha-aminoketone
  • Heteroaromatic compound
  • Ketone
  • Azacycle
  • Secondary amine
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Nucleus
Biospecimen LocationsNot Available
Tissue Locations
  • Fibroblasts
  • Placenta
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 IDFDB022481
KNApSAcK IDNot Available
Chemspider ID114280
KEGG Compound IDC03684
BioCyc ID6-PYRUVOYL-5678-TETRAHYDROPTERIN
BiGG IDNot Available
Wikipedia LinkDyspropterin
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID17804
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Bonafe L, Thony B, Leimbacher W, Kierat L, Blau N: Diagnosis of dopa-responsive dystonia and other tetrahydrobiopterin disorders by the study of biopterin metabolism in fibroblasts. Clin Chem. 2001 Mar;47(3):477-85. [PubMed:11238300 ]
  2. Niederwieser A, Curtius HC: Tetrahydrobiopterin biosynthetic pathway and deficiency. Enzyme. 1987;38(1-4):302-11. [PubMed:3326735 ]
  3. Dhondt JL, Hayte JM: [Screening of tetrahydrobiopterin deficiency among hyperphenylalaninemic patients]. Ann Biol Clin (Paris). 2002 Mar-Apr;60(2):165-71. [PubMed:11937441 ]
  4. Iwanaga N, Yamamasu S, Tachibana D, Nishio J, Nakai Y, Shintaku H, Ishiko O: Activity of synthetic enzymes of tetrahydrobiopterin in the human placenta. Int J Mol Med. 2004 Jan;13(1):117-20. [PubMed:14654981 ]

Enzymes

Enzyme Details
1. 6-pyruvoyl tetrahydrobiopterin synthase
General function:
Involved in 6-pyruvoyltetrahydropterin synthase activity
Specific function:
Involved in the biosynthesis of tetrahydrobiopterin, an essential cofactor of aromatic amino acid hydroxylases. Catalyzes the transformation of 7,8-dihydroneopterin triphosphate into 6-pyruvoyl tetrahydropterin.
Gene Name:
PTS
Uniprot ID:
Q03393
Molecular weight:
16385.63
Reactions
Dihydroneopterin triphosphate → Dyspropterin + Triphosphatedetails
Dihydroneopterin triphosphate → Dyspropterin + Triphosphatedetails
Enzyme Details
2. Sepiapterin reductase
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the final one or two reductions in tetra-hydrobiopterin biosynthesis to form 5,6,7,8-tetrahydrobiopterin.
Gene Name:
SPR
Uniprot ID:
P35270
Molecular weight:
28048.13
Reactions
Tetrahydrobiopterin + NADP → Dyspropterin + NADPHdetails
6-Lactoyltetrahydropterin + NADP → Dyspropterin + NADPH + Hydrogen Iondetails