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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-05-22 14:17:46 UTC

Update Date

2021-09-14 15:15:55 UTC

HMDB ID

HMDB0002281

Secondary Accession Numbers

HMDB0012482
HMDB02281
HMDB12482

Metabolite Identification

Common Name

4a-Hydroxytetrahydrobiopterin

Description

Tetrahydrobiopterin (BH4) is essential for catalyzing the conversion of phenylalanine into tyrosine by phenylalanine hydroxylase. During this physiological reaction, the oxidation of BH4 creates 4a-hydroxytetrahydropterin (CAS: 70110-58-6) intermediates and hydrogen peroxide is formed. The hydrogen peroxide and the hydroxytetrahydropterin can both be derived from alternate breakdown routes of a common precursor, the corresponding 4a-hydroperoxytetrahydropterin (PMID: 8323303 ).

Structure

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

HMDB0002281
     RDKit          3D
4a-Hydroxytetrahydrobiopterin
 33 34  0  0  0  0  0  0  0  0999 V2000
   -3.4888    0.6039    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9049   -0.7693    0.8243 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4817   -0.8594    2.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.2780   -0.2163 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7517   -2.6436    0.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.5916   -0.4351 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8063    0.8020   -0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    1.1455   -1.5101 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5976    0.7043   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893    0.7665   -1.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.3706   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2555    0.4756   -0.8919 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7368   -0.0848    0.8405 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4567   -0.2078    1.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497   -0.7015    2.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640    0.2268    0.6898 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7857    1.3637    1.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1632   -0.7014    0.7040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4643    0.7560   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821    0.6547    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164    1.4061    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8096   -1.4555    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6678    0.0010    2.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015   -1.3114   -1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923   -2.8162    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -1.1777   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0593    1.5698   -0.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590    0.7612   -1.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784    1.6469   -2.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4688    1.2109   -1.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9876   -0.1927   -0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763    1.2398    2.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466   -0.9143    1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  1
 16 18  1  0
 18  6  1  0
 16  9  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  1
  3 23  1  0
  4 24  1  6
  5 25  1  0
  6 26  1  6
  7 27  1  0
  7 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 17 32  1  0
 18 33  1  0
M  END

  Mrv1652309042000272D          

 19 20  0  0  0  0            999 V2000
 9998.0932 9999.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.2326 9999.2046    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.9462 9998.7900    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.6617 9999.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.9462 9997.9661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.232610000.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.380910000.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9543 9997.5486    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3809 9999.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.6665 9998.7876    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.6665 9997.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3809 9997.5503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8059 9999.2002    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0915 9998.7877    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.0915 9997.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8059 9997.5504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.5203 9997.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.5203 9998.7877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.5179 9999.6126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  6  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11  8  1  0  0  0  0
  9  7  2  0  0  0  0
 18  2  1  0  0  0  0
 12 15  2  0  0  0  0
  9 14  1  0  0  0  0
 14  1  1  1  0  0  0
 18 19  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0002281

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O

> <INCHI_IDENTIFIER>
InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)/t3-,4+,5-,9-/m0/s1

> <INCHI_KEY>
KJKIEFUPAPPGBC-XXKOCQOQSA-N

> <FORMULA>
C9H15N5O4

> <MOLECULAR_WEIGHT>
257.25

> <EXACT_MASS>
257.112403983

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
23.974819443414184

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-4,4a,5,6,7,8-hexahydropteridin-4-one

> <ALOGPS_LOGP>
-2.29

> <JCHEM_LOGP>
-3.1342584666666666

> <ALOGPS_LOGS>
-1.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.535559580937274

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.80938680121844

> <JCHEM_PKA_STRONGEST_BASIC>
3.0972551243955766

> <JCHEM_POLAR_SURFACE_AREA>
152.56

> <JCHEM_REFRACTIVITY>
58.59530000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.81e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-5,6,7,8-tetrahydropteridin-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0002281
     RDKit          3D
4a-Hydroxytetrahydrobiopterin
 33 34  0  0  0  0  0  0  0  0999 V2000
   -3.4888    0.6039    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9049   -0.7693    0.8243 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4817   -0.8594    2.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.2780   -0.2163 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7517   -2.6436    0.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.5916   -0.4351 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8063    0.8020   -0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    1.1455   -1.5101 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5976    0.7043   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893    0.7665   -1.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.3706   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2555    0.4756   -0.8919 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7368   -0.0848    0.8405 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4567   -0.2078    1.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497   -0.7015    2.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640    0.2268    0.6898 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7857    1.3637    1.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1632   -0.7014    0.7040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4643    0.7560   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821    0.6547    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164    1.4061    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8096   -1.4555    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6678    0.0010    2.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015   -1.3114   -1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923   -2.8162    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -1.1777   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0593    1.5698   -0.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590    0.7612   -1.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784    1.6469   -2.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4688    1.2109   -1.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9876   -0.1927   -0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763    1.2398    2.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466   -0.9143    1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  1
 16 18  1  0
 18  6  1  0
 16  9  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  1
  3 23  1  0
  4 24  1  6
  5 25  1  0
  6 26  1  6
  7 27  1  0
  7 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 17 32  1  0
 18 33  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0    8663.1078665.948   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8667.1018665.182   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8668.4338664.408   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8669.7698665.182   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    8668.4338662.870   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8667.1018666.722   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8661.7788666.725   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0    8659.1158662.091   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0    8661.7788665.174   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0    8660.4448664.404   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0    8660.4448662.864   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0    8661.7788662.094   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0    8664.4388665.174   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0    8663.1048664.404   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8663.1048662.864   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0    8664.4388662.094   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0    8665.7718662.864   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8665.7718664.404   0.000  0.00  0.00           C+0
HETATM   19  H   UNK     0    8665.7678665.944   0.000  0.00  0.00           H+0
CONECT    1   14                                                            
CONECT    2    3    6   18                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2                                                            
CONECT    7    9                                                            
CONECT    8   11                                                            
CONECT    9   10    7   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12    8                                                  
CONECT   12   11   15                                                       
CONECT   13   14   18                                                       
CONECT   14   15   13    9    1                                             
CONECT   15   14   16   12                                                  
CONECT   16   15   17                                                       
CONECT   17   18   16                                                       
CONECT   18   17   13    2   19                                             
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END

COMPND    HMDB0002281
HETATM    1  C1  UNL     1      -3.489   0.604   0.504  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.905  -0.769   0.824  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.482  -0.859   2.127  1.00  0.00           O  
HETATM    4  C3  UNL     1      -1.983  -1.278  -0.216  1.00  0.00           C  
HETATM    5  O2  UNL     1      -1.752  -2.644   0.043  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.696  -0.592  -0.435  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.806   0.802  -0.996  1.00  0.00           C  
HETATM    8  N1  UNL     1       0.520   1.145  -1.510  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.598   0.704  -0.639  1.00  0.00           C  
HETATM   10  N2  UNL     1       2.789   0.766  -1.068  1.00  0.00           N  
HETATM   11  C7  UNL     1       3.950   0.371  -0.340  1.00  0.00           C  
HETATM   12  N3  UNL     1       5.256   0.476  -0.892  1.00  0.00           N  
HETATM   13  N4  UNL     1       3.737  -0.085   0.841  1.00  0.00           N  
HETATM   14  C8  UNL     1       2.457  -0.208   1.426  1.00  0.00           C  
HETATM   15  O3  UNL     1       2.350  -0.702   2.604  1.00  0.00           O  
HETATM   16  C9  UNL     1       1.264   0.227   0.690  1.00  0.00           C  
HETATM   17  O4  UNL     1       0.786   1.364   1.404  1.00  0.00           O  
HETATM   18  N5  UNL     1       0.163  -0.701   0.704  1.00  0.00           N  
HETATM   19  H1  UNL     1      -3.464   0.756  -0.580  1.00  0.00           H  
HETATM   20  H2  UNL     1      -4.582   0.655   0.786  1.00  0.00           H  
HETATM   21  H3  UNL     1      -3.016   1.406   1.101  1.00  0.00           H  
HETATM   22  H4  UNL     1      -3.810  -1.455   0.775  1.00  0.00           H  
HETATM   23  H5  UNL     1      -2.668   0.001   2.582  1.00  0.00           H  
HETATM   24  H6  UNL     1      -2.602  -1.311  -1.173  1.00  0.00           H  
HETATM   25  H7  UNL     1      -0.792  -2.816   0.214  1.00  0.00           H  
HETATM   26  H8  UNL     1      -0.168  -1.178  -1.252  1.00  0.00           H  
HETATM   27  H9  UNL     1      -1.059   1.570  -0.268  1.00  0.00           H  
HETATM   28  H10 UNL     1      -1.459   0.761  -1.888  1.00  0.00           H  
HETATM   29  H11 UNL     1       0.678   1.647  -2.395  1.00  0.00           H  
HETATM   30  H12 UNL     1       5.469   1.211  -1.572  1.00  0.00           H  
HETATM   31  H13 UNL     1       5.988  -0.193  -0.603  1.00  0.00           H  
HETATM   32  H14 UNL     1       0.976   1.240   2.354  1.00  0.00           H  
HETATM   33  H15 UNL     1      -0.247  -0.914   1.601  1.00  0.00           H  
CONECT    1    2   19   20   21
CONECT    2    3    4   22
CONECT    3   23
CONECT    4    5    6   24
CONECT    5   25
CONECT    6    7   18   26
CONECT    7    8   27   28
CONECT    8    9   29
CONECT    9   10   10   16
CONECT   10   11
CONECT   11   12   13   13
CONECT   12   30   31
CONECT   13   14
CONECT   14   15   15   16
CONECT   16   17   18
CONECT   17   32
CONECT   18   33
END

HMDB0002281
     RDKit          3D
4a-Hydroxytetrahydrobiopterin
 33 34  0  0  0  0  0  0  0  0999 V2000
   -3.4888    0.6039    0.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9049   -0.7693    0.8243 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4817   -0.8594    2.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9833   -1.2780   -0.2163 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7517   -2.6436    0.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6958   -0.5916   -0.4351 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8063    0.8020   -0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5202    1.1455   -1.5101 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5976    0.7043   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7893    0.7665   -1.0678 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500    0.3706   -0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2555    0.4756   -0.8919 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7368   -0.0848    0.8405 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4567   -0.2078    1.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3497   -0.7015    2.6038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2640    0.2268    0.6898 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7857    1.3637    1.4038 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1632   -0.7014    0.7040 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4643    0.7560   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5821    0.6547    0.7863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0164    1.4061    1.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8096   -1.4555    0.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6678    0.0010    2.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015   -1.3114   -1.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7923   -2.8162    0.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1681   -1.1777   -1.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0593    1.5698   -0.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4590    0.7612   -1.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6784    1.6469   -2.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4688    1.2109   -1.5724 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9876   -0.1927   -0.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763    1.2398    2.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2466   -0.9143    1.6011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  1
 16 18  1  0
 18  6  1  0
 16  9  1  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  1
  3 23  1  0
  4 24  1  6
  5 25  1  0
  6 26  1  6
  7 27  1  0
  7 28  1  0
  8 29  1  0
 12 30  1  0
 12 31  1  0
 17 32  1  0
 18 33  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(4AS,6R)-4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin	ChEBI
(6R)-6-(L-Erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin	ChEBI
4a-Hydroxy-5,6,4,8-tetrahydrobiopterin	Kegg
6-[(1R,2S)-1,2-Dihydroxypropyl]-5,6,7,8-tetrahydro-4a-hydroxypterin	Kegg
4a-HTHB	HMDB
4a-Hydroxy-5,6,7,8-tetrahydrobiopterin	HMDB
4a-Hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin	HMDB
4a-Hydroxytetrahydrobiopterin	HMDB

Chemical Formula

C₉H₁₅N₅O₄

Average Molecular Weight

257.25

Monoisotopic Molecular Weight

257.112403983

IUPAC Name

(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-4,4a,5,6,7,8-hexahydropteridin-4-one

Traditional Name

(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-5,6,7,8-tetrahydropteridin-4-one

CAS Registry Number

1379003-93-6

SMILES

[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O

InChI Identifier

InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)/t3-,4+,5-,9-/m0/s1

InChI Key

KJKIEFUPAPPGBC-XXKOCQOQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Biopterins and derivatives

Alternative Parents

Substituents

Biopterin
Alpha-amino acid or derivatives
Pyrimidone
Imidolactam
Hydropyrimidine
1,4,5,6-tetrahydropyrimidine
Pyrimidine
1,2-diol
Amino acid or derivatives
Guanidine
N-acylimine
Secondary alcohol
Alkanolamine
Amidine
Carboxylic acid amidine
Carboxylic acid derivative
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Secondary amine
Carbonyl group
Organic nitrogen compound
Organic oxygen compound
Alcohol
Amine
Organonitrogen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0002281)

Organelle

Mitochondrion (HMDB: HMDB0002281)

Source

Endogenous

Endogenous (HMDB: HMDB0002281)

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

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

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)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy sauce (FooDB: FOOD00694)
Miso (FooDB: FOOD00695)
Tofu (FooDB: FOOD00696)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Tyrosine Metabolism (PathBank: SMP0087328)
Tryptophan Metabolism (PathBank: SMP0063693)
Phenylalanine and Tyrosine Metabolism (PathBank: SMP0087313)

Disease pathway

Tyrosinemia Type 3 (TYRO3) (PathBank: SMP0120731)
Tyrosinemia, Transient, of the Newborn (PathBank: SMP0120779)
Tyrosinemia Type 2 (or Richner-Hanhart Syndrome) (PathBank: SMP0120513)
Phenylketonuria (PathBank: SMP0120540)
Hawkinsinuria (PathBank: SMP0120711)
Tyrosinemia Type I (PathBank: SMP0120729)
Alkaptonuria (PathBank: SMP0120453)
Dopamine beta-Hydroxylase Deficiency (PathBank: SMP0120563)
Monoamine Oxidase-A Deficiency (MAO-A) (PathBank: SMP0120817)

Drug action pathway

Disulfiram Action Pathway (PathBank: SMP0000429)

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	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.81 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-3.1	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	9.81	ChemAxon
pKa (Strongest Basic)	3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	152.56 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	58.6 m³·mol⁻¹	ChemAxon
Polarizability	23.97 Å³	ChemAxon
Number of Rings	2	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]+	157.863	30932474
DeepCCS	[M-H]-	155.467	30932474
DeepCCS	[M-2H]-	189.74	30932474
DeepCCS	[M+Na]+	164.275	30932474
AllCCS	[M+H]+	157.3	32859911
AllCCS	[M+H-H2O]+	153.8	32859911
AllCCS	[M+NH4]+	160.7	32859911
AllCCS	[M+Na]+	161.6	32859911
AllCCS	[M-H]-	156.9	32859911
AllCCS	[M+Na-2H]-	156.6	32859911
AllCCS	[M+HCOO]-	156.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
4a-Hydroxytetrahydrobiopterin	[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O	4410.2	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin	[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O	2464.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin	[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O	2881.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #1	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2527.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #2	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1	2473.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1	2492.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #4	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2562.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #5	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1	2461.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #6	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2437.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2461.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #10	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2475.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #11	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1	2420.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2439.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2470.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2537.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #15	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2455.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2384.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #2	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2443.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #3	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2505.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #4	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2445.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #5	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2455.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1	2427.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2462.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1	2396.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2442.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2440.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #10	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2473.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2394.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2437.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1	2368.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2408.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #15	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2414.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #16	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2466.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #17	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2450.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #18	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2381.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #19	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2414.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2467.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #20	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2488.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #21	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2455.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #22	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2391.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2436.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2458.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2488.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2391.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2455.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2452.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #6	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2393.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2438.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #8	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2446.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #9	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2496.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2485.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2479.9	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	5387.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2480.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2571.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4978.0	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2404.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2496.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4487.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #12	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2466.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #12	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2538.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #12	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	4940.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2464.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2565.2	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4595.0	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2540.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2619.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4716.6	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2434.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2439.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1	4583.4	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2516.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2473.9	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	4599.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #17	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2468.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #17	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2554.9	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #17	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4586.0	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #18	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2396.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #18	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2474.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #18	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4332.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #19	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2444.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #19	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2480.0	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #19	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	4473.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2421.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2416.3	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1	4692.0	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #20	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2447.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #20	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2513.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #20	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4336.6	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #21	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2491.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #21	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2585.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #21	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4484.6	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #22	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2469.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #22	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2476.9	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #22	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	4527.0	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #23	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2467.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #23	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2523.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #23	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4348.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #24	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2516.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #24	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2609.3	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #24	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4487.2	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2480.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2600.1	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4294.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2463.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2498.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4714.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2445.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2485.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	5139.4	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2552.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2488.0	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	5166.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2493.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2573.0	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4958.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2407.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2501.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4489.6	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2441.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2489.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	5125.0	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2518.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2490.3	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	5156.1	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2508.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2518.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	5027.3	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2583.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2602.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4506.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2539.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2646.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4144.1	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2539.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	2492.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1	4275.4	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2497.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2532.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4149.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2584.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2578.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4268.1	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #15	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2509.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #15	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2583.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #15	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4056.0	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2528.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2588.9	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	4079.7	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2612.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2514.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	5085.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2557.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2574.4	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4842.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2489.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2515.9	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4401.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2568.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2540.9	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	4794.0	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2497.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2574.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4405.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2618.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2606.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4498.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2531.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2550.3	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	4770.1	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2493.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2575.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4400.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2647.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	2569.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1	4637.1	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2594.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2601.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4226.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2701.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2614.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	4331.7	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2646.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2656.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	3949.0	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2613.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2661.2	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	3932.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2614.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	2602.1	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C	3873.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,7TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2733.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,7TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	2671.2	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,7TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C	3739.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #1	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	2676.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #2	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1	2664.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #3	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1	2665.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #4	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	2749.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #5	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1	2683.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #6	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	2665.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #1	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	2817.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #10	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	2838.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #11	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1	2815.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #12	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	2852.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	2870.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	2863.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #15	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	2844.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	2821.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #2	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	2805.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #3	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	2855.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #4	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	2815.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #5	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	2826.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #6	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1	2817.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	2835.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1	2821.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	2862.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #1	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3029.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #10	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3026.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	2998.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #12	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3006.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #13	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1	3005.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #14	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3045.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #15	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3004.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #16	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3007.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #17	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3040.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #18	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3015.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #19	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3011.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #2	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3040.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #20	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	2995.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #21	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3030.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #22	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3012.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3012.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3031.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3040.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #3	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3016.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #4	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3061.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3030.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #6	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3017.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3051.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #8	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3022.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #9	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3040.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #1	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3241.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #1	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3210.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #1	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	5562.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3243.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3341.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4974.4	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3221.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3330.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4586.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #12	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3223.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #12	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3249.3	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #12	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	4933.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3216.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3318.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4597.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3256.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3333.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4648.7	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #15	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3186.3	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #15	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3201.4	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #15	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	4669.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #16	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3206.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #16	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3194.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #16	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	4690.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #17	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3220.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #17	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3315.3	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #17	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4622.7	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #18	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3208.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #18	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3296.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #18	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4460.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #19	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3198.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #19	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3211.4	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #19	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	4508.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #2	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3223.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #2	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3215.1	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #2	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	4796.3	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #20	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3218.9	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #20	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3266.9	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #20	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4399.6	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #21	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3228.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #21	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3302.3	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #21	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4472.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #22	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3206.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #22	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3203.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #22	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	4563.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #23	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3209.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #23	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3270.3	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #23	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4421.4	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #24	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3224.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #24	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3310.1	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #24	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4485.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3236.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3314.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4332.2	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #3	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3259.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #3	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3331.4	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #3	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4783.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #4	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3225.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #4	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3235.4	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #4	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	5236.3	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #5	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3249.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #5	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3186.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #5	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	5248.7	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #6	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3240.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #6	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3328.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #6	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4968.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #7	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3222.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #7	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3329.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #7	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4590.3	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3215.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3244.1	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	5217.4	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3247.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3194.3	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	5240.5	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #1	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3408.7	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #1	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3392.9	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #1	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	5097.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3452.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3459.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4474.1	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3445.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3510.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4193.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #12	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3401.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #12	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	3357.4	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #12	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1	4365.7	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #13	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3395.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #13	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3418.2	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #13	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4269.4	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #14	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3422.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #14	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3431.0	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #14	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4328.2	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #15	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3423.8	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #15	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3454.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #15	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4172.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #16	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3422.0	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #16	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	3455.2	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #16	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C	4196.9	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #2	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3439.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #2	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3328.6	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #2	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	5133.1	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #3	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3422.2	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #3	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3445.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #3	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4814.2	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #4	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3408.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #4	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3466.1	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #4	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4532.3	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #5	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3450.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #5	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3392.7	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #5	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	4771.2	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #6	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3422.4	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #6	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3463.8	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #6	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4434.8	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #7	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3458.1	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #7	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3456.4	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #7	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4477.7	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3433.5	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	3406.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1	4750.3	Standard polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3419.6	Semi standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3470.5	Standard non polar	33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4423.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 4a-Hydroxytetrahydrobiopterin 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 - 4a-Hydroxytetrahydrobiopterin 10V, Positive-QTOF	splash10-0a4l-0090000000-364ec2c50acd77d83ef0	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 20V, Positive-QTOF	splash10-00gl-0690000000-f15f00b5ba6b8f2959b9	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 40V, Positive-QTOF	splash10-0005-9720000000-9884aa4c6eb7899b87e9	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 10V, Negative-QTOF	splash10-0bt9-2290000000-43723819afb4c98b5ceb	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 20V, Negative-QTOF	splash10-0006-9210000000-fa8eb33fdfed731f1c82	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 40V, Negative-QTOF	splash10-0006-9100000000-c550affb7745a16d59b4	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 10V, Positive-QTOF	splash10-0a4i-0090000000-2e38d752208e421512bf	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 20V, Positive-QTOF	splash10-052f-0390000000-b6be9ce0bc335a474657	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 40V, Positive-QTOF	splash10-014i-1900000000-d33dcfe8d8e5a4b0dbc4	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 10V, Negative-QTOF	splash10-0a4i-0190000000-41b062345c98026b7320	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 20V, Negative-QTOF	splash10-0bti-1390000000-91a5c824226e2ce65d2b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 40V, Negative-QTOF	splash10-001l-4900000000-3857d5c10638c2febd7c	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Phenylalanine and Tyrosine Metabolism
Phenylketonuria		Not Available
Tyrosinemia Type 2 (or Richner-Hanhart syndrome)		Not Available
Tyrosinemia Type 3 (TYRO3)		Not Available
Tyrosine metabolism	Not Available

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

FDB022944

KNApSAcK ID

Not Available

Chemspider ID

30792101

KEGG Compound ID

C15522

BioCyc ID

CPD-5881

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6591

PubChem Compound

135476770

PDB ID

Not Available

ChEBI ID

15642

Food Biomarker Ontology

Not Available

VMH ID

THBPT4ACAM

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Rebrin I, Thony B, Bailey SW, Ayling JE: Stereospecificity and catalytic function of histidine residues in 4a-hydroxy-tetrahydropterin dehydratase/DCoH. Biochemistry. 1998 Aug 11;37(32):11246-54. [PubMed:9698371 ]
Almas B, Haavik J, Flatmark T: Characterization of a novel pterin intermediate formed in the catalytic cycle of tyrosine hydroxylase. Biochem J. 1996 Nov 1;319 ( Pt 3):947-51. [PubMed:8921004 ]
Davis MD, Kaufman S: Products of the tyrosine-dependent oxidation of tetrahydrobiopterin by rat liver phenylalanine hydroxylase. Arch Biochem Biophys. 1993 Jul;304(1):9-16. [PubMed:8323303 ]
Rebrin I, Bailey SW, Boerth SR, Ardell MD, Ayling JE: Catalytic characterization of 4a-hydroxytetrahydropterin dehydratase. Biochemistry. 1995 May 2;34(17):5801-10. [PubMed:7727440 ]

Enzymes

Enzyme Details

1. Tyrosine 3-monooxygenase

General function:: Involved in monooxygenase activity
Specific function:: Plays an important role in the physiology of adrenergic neurons.
Gene Name:: TH
Uniprot ID:: P07101
Molecular weight:: 55611.26

Reactions

L-Tyrosine + Tetrahydrobiopterin + Oxygen → DOPA + 4a-Hydroxytetrahydrobiopterin	details

Enzyme Details

2. Phenylalanine-4-hydroxylase

General function:: Involved in amino acid binding
Specific function:: Not Available
Gene Name:: PAH
Uniprot ID:: P00439
Molecular weight:: 51861.565

Reactions

Phenylalanine + Tetrahydrobiopterin + Oxygen → L-Tyrosine + 4a-Hydroxytetrahydrobiopterin	details

Enzyme Details

3. Tryptophan 5-hydroxylase 1

General function:: Involved in amino acid binding
Specific function:: Not Available
Gene Name:: TPH1
Uniprot ID:: P17752
Molecular weight:: 50984.725

Reactions

L-Tryptophan + Tetrahydrobiopterin + Oxygen → 5-Hydroxy-L-tryptophan + 4a-Hydroxytetrahydrobiopterin	details

Enzyme Details

4. Tryptophan 5-hydroxylase 2

General function:: Involved in amino acid binding
Specific function:: Not Available
Gene Name:: TPH2
Uniprot ID:: Q8IWU9
Molecular weight:: 56056.295

Reactions

L-Tryptophan + Tetrahydrobiopterin + Oxygen → 5-Hydroxy-L-tryptophan + 4a-Hydroxytetrahydrobiopterin	details

Enzyme Details

5. Pterin-4-alpha-carbinolamine dehydratase

General function:: Involved in 4-alpha-hydroxytetrahydrobiopterin dehydratase activity
Specific function:: Involved in tetrahydrobiopterin biosynthesis. Seems to both prevent the formation of 7-pterins and accelerate the formation of quinonoid-BH2. Coactivator for HNF1A-dependent transcription. Regulates the dimerization of homeodomain protein HNF1A and enhances its transcriptional activity.
Gene Name:: PCBD1
Uniprot ID:: P61457
Molecular weight:: 11999.515

Reactions

4a-Hydroxytetrahydrobiopterin → 4a-Carbinolamine tetrahydrobiopterin + Water	details

Enzyme Details

6. Pterin-4-alpha-carbinolamine dehydratase 2

General function:: Involved in 4-alpha-hydroxytetrahydrobiopterin dehydratase activity
Specific function:: Involved in tetrahydrobiopterin biosynthesis. Seems to both prevent the formation of 7-pterins and accelerate the formation of quinonoid-BH2 (By similarity). Regulates the dimerization of homeodomain protein HNF-1-alpha and enhances its transcriptional activity.
Gene Name:: PCBD2
Uniprot ID:: Q9H0N5
Molecular weight:: 14365.325

Reactions

4a-Hydroxytetrahydrobiopterin → 4a-Carbinolamine tetrahydrobiopterin + Water	details

Showing metabocard for 4a-Hydroxytetrahydrobiopterin (HMDB0002281)

MOL for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

3D MOL for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

3D SDF for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

3D-SDF for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

PDB for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

3D PDB for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

SMILES for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

INCHI for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

Structure for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

3D Structure for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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