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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:15:56 UTC

HMDB ID

HMDB0000027

Secondary Accession Numbers

HMDB0000787
HMDB0002154
HMDB00027
HMDB0059658
HMDB00787
HMDB02154
HMDB59658

Metabolite Identification

Common Name

Tetrahydrobiopterin

Description

Tetrahydrobiopterin (CAS: 17528-72-2), also known as BH4, is an essential cofactor in the synthesis of neurotransmitters and nitric oxide (PMID: 16946131 ). In fact, it is used by all three human nitric-oxide synthases (NOS) eNOS, nNOS, and iNOS as well as the enzyme glyceryl-ether monooxygenase. It is also essential in the conversion of phenylalanine into tyrosine by the enzyme phenylalanine-4-hydroxylase; the conversion of tyrosine into L-dopa by the enzyme tyrosine hydroxylase; and the conversion of tryptophan into 5-hydroxytryptophan via tryptophan hydroxylase. Specifically, tetrahydrobiopterin is a cofactor for tryptophan 5-hydroxylase 1, tyrosine 3-monooxygenase, and phenylalanine hydroxylase, all of which are essential for the formation of the neurotransmitters dopamine, noradrenaline, and adrenaline. Tetrahydrobiopterin has been proposed to be involved in the promotion of neurotransmitter release in the brain and the regulation of human melanogenesis. A defect in BH4 production and/or a defect in the enzyme dihydropteridine reductase (DHPR) causes phenylketonuria type IV, as well as dopa-responsive dystonias. BH4 is also implicated in Parkinson's disease, Alzheimer's disease, and depression. Tetrahydrobiopterin is present in probably every cell or tissue of higher animals. On the other hand, most bacteria, fungi and plants do not synthesize tetrahydrobiopterin (Wikipedia ).

Structure

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

HMDB0000027
     RDKit          3D
Tetrahydrobiopterin
 32 33  0  0  0  0  0  0  0  0999 V2000
   -3.3834   -1.6670   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879   -0.2526    0.2627 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5173    0.3684   -0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046    0.5545   -0.1578 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0205    0.6154   -1.5328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210    0.2157    0.5433 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3745   -1.1332    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -1.2298    0.6994 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024   -0.2196    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337   -0.5047    0.2274 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0772    0.4820   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4613    0.2221   -0.2424 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979    1.7290   -0.3708 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3066    2.0493   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357    3.1908   -0.5012 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179    1.0446    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214    1.2713    0.2089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3111   -2.3541    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3743   -1.9551   -0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323   -1.8856   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5007   -0.1738    1.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2832    0.4668   -1.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379    1.6192    0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6697    1.5100   -1.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.2493    1.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3115   -1.2850   -0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544   -1.9261    0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -2.0183    1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -1.4929    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1527    0.9885   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207   -0.7433   -0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3040    2.2643    0.0447 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  1  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  0
 17  6  1  0
 16  9  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  1
  3 22  1  0
  4 23  1  1
  5 24  1  0
  6 25  1  1
  7 26  1  0
  7 27  1  0
  8 28  1  0
 10 29  1  0
 12 30  1  0
 12 31  1  0
 17 32  1  0
M  END

  Mrv1652309032023502D          

 18 19  0  0  0  0            999 V2000
 9998.572710001.2338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.425110000.4068    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10002.1408 9999.9922    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10002.854510000.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.1408 9999.1680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.425110001.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1454 9998.7502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.572710000.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8582 9999.9897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8582 9999.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5727 9998.7522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.998910000.4022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2844 9999.9897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.2844 9999.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9989 9998.7522    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.7134 9999.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.7134 9999.9897    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.710710000.8147    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
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  1  8  2  0  0  0  0
 10  7  1  0  0  0  0
 13 14  2  0  0  0  0
 16 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17  2  1  0  0  0  0
 11 14  1  0  0  0  0
  8 13  1  0  0  0  0
 17 18  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0000027

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O

> <INCHI_IDENTIFIER>
InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1

> <INCHI_KEY>
FNKQXYHWGSIFBK-RPDRRWSUSA-N

> <FORMULA>
C9H15N5O3

> <MOLECULAR_WEIGHT>
241.2471

> <EXACT_MASS>
241.117489371

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
23.669405752440387

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.66

> <JCHEM_LOGP>
-2.6621297606666667

> <ALOGPS_LOGS>
-2.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.060370910709416

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.518351905753281

> <JCHEM_PKA_STRONGEST_BASIC>
1.5820637408971272

> <JCHEM_POLAR_SURFACE_AREA>
132.0

> <JCHEM_REFRACTIVITY>
68.43339999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.21e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrobiopterin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000027
     RDKit          3D
Tetrahydrobiopterin
 32 33  0  0  0  0  0  0  0  0999 V2000
   -3.3834   -1.6670   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879   -0.2526    0.2627 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5173    0.3684   -0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046    0.5545   -0.1578 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0205    0.6154   -1.5328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210    0.2157    0.5433 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3745   -1.1332    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -1.2298    0.6994 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024   -0.2196    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337   -0.5047    0.2274 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0772    0.4820   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4613    0.2221   -0.2424 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979    1.7290   -0.3708 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3066    2.0493   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357    3.1908   -0.5012 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179    1.0446    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214    1.2713    0.2089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3111   -2.3541    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3743   -1.9551   -0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323   -1.8856   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5007   -0.1738    1.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2832    0.4668   -1.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379    1.6192    0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6697    1.5100   -1.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.2493    1.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3115   -1.2850   -0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544   -1.9261    0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -2.0183    1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -1.4929    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1527    0.9885   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207   -0.7433   -0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3040    2.2643    0.0447 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  1  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  0
 17  6  1  0
 16  9  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  1
  3 22  1  0
  4 23  1  1
  5 24  1  0
  6 25  1  1
  7 26  1  0
  7 27  1  0
  8 28  1  0
 10 29  1  0
 12 30  1  0
 12 31  1  0
 17 32  1  0
M  END

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  O   UNK     0    8664.0028668.970   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8669.3278667.426   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8670.6638666.652   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8671.9958667.426   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    8670.6638665.114   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8669.3278668.966   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0    8661.3388664.334   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0    8664.0028667.417   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8662.6698666.647   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0    8662.6698665.107   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0    8664.0028664.337   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0    8666.6658667.417   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0    8665.3318666.647   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8665.3318665.107   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0    8666.6658664.337   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0    8667.9988665.107   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8667.9988666.647   0.000  0.00  0.00           C+0
HETATM   18  H   UNK     0    8667.9938668.187   0.000  0.00  0.00           H+0
CONECT    1    8                                                            
CONECT    2    3    6   17                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2                                                            
CONECT    7   10                                                            
CONECT    8    9    1   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11    7                                                  
CONECT   11   10   14                                                       
CONECT   12   13   17                                                       
CONECT   13   14   12    8                                                  
CONECT   14   13   15   11                                                  
CONECT   15   14   16                                                       
CONECT   16   17   15                                                       
CONECT   17   16   12    2   18                                             
CONECT   18   17                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   38    0
END

COMPND    HMDB0000027
HETATM    1  C1  UNL     1      -3.383  -1.667  -0.241  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.388  -0.253   0.263  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.517   0.368  -0.321  1.00  0.00           O  
HETATM    4  C3  UNL     1      -2.205   0.554  -0.158  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.021   0.615  -1.533  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.921   0.216   0.543  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.374  -1.133   0.196  1.00  0.00           C  
HETATM    8  N1  UNL     1       0.987  -1.230   0.699  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.902  -0.220   0.331  1.00  0.00           C  
HETATM   10  N2  UNL     1       3.234  -0.505   0.227  1.00  0.00           N  
HETATM   11  C7  UNL     1       4.077   0.482  -0.126  1.00  0.00           C  
HETATM   12  N3  UNL     1       5.461   0.222  -0.242  1.00  0.00           N  
HETATM   13  N4  UNL     1       3.598   1.729  -0.371  1.00  0.00           N  
HETATM   14  C8  UNL     1       2.307   2.049  -0.281  1.00  0.00           C  
HETATM   15  O3  UNL     1       1.836   3.191  -0.501  1.00  0.00           O  
HETATM   16  C9  UNL     1       1.418   1.045   0.082  1.00  0.00           C  
HETATM   17  N5  UNL     1       0.021   1.271   0.209  1.00  0.00           N  
HETATM   18  H1  UNL     1      -3.311  -2.354   0.652  1.00  0.00           H  
HETATM   19  H2  UNL     1      -4.374  -1.955  -0.702  1.00  0.00           H  
HETATM   20  H3  UNL     1      -2.632  -1.886  -0.997  1.00  0.00           H  
HETATM   21  H4  UNL     1      -3.501  -0.174   1.345  1.00  0.00           H  
HETATM   22  H5  UNL     1      -4.283   0.467  -1.297  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.438   1.619   0.148  1.00  0.00           H  
HETATM   24  H7  UNL     1      -1.670   1.510  -1.821  1.00  0.00           H  
HETATM   25  H8  UNL     1      -1.096   0.249   1.640  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.311  -1.285  -0.898  1.00  0.00           H  
HETATM   27  H10 UNL     1      -0.954  -1.926   0.714  1.00  0.00           H  
HETATM   28  H11 UNL     1       1.308  -2.018   1.321  1.00  0.00           H  
HETATM   29  H12 UNL     1       3.561  -1.493   0.429  1.00  0.00           H  
HETATM   30  H13 UNL     1       6.153   0.988  -0.383  1.00  0.00           H  
HETATM   31  H14 UNL     1       5.821  -0.743  -0.190  1.00  0.00           H  
HETATM   32  H15 UNL     1      -0.304   2.264   0.045  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3    4   21
CONECT    3   22
CONECT    4    5    6   23
CONECT    5   24
CONECT    6    7   17   25
CONECT    7    8   26   27
CONECT    8    9   28
CONECT    9   10   16   16
CONECT   10   11   29
CONECT   11   12   13   13
CONECT   12   30   31
CONECT   13   14
CONECT   14   15   15   16
CONECT   16   17
CONECT   17   32
END

HMDB0000027
     RDKit          3D
Tetrahydrobiopterin
 32 33  0  0  0  0  0  0  0  0999 V2000
   -3.3834   -1.6670   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879   -0.2526    0.2627 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5173    0.3684   -0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2046    0.5545   -0.1578 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0205    0.6154   -1.5328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9210    0.2157    0.5433 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3745   -1.1332    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9875   -1.2298    0.6994 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024   -0.2196    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337   -0.5047    0.2274 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0772    0.4820   -0.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4613    0.2221   -0.2424 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5979    1.7290   -0.3708 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3066    2.0493   -0.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357    3.1908   -0.5012 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4179    1.0446    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0214    1.2713    0.2089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3111   -2.3541    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3743   -1.9551   -0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6323   -1.8856   -0.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5007   -0.1738    1.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2832    0.4668   -1.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379    1.6192    0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6697    1.5100   -1.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958    0.2493    1.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3115   -1.2850   -0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544   -1.9261    0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -2.0183    1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -1.4929    0.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1527    0.9885   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207   -0.7433   -0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3040    2.2643    0.0447 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  1  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  0
 17  6  1  0
 16  9  2  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  1
  3 22  1  0
  4 23  1  1
  5 24  1  0
  6 25  1  1
  7 26  1  0
  7 27  1  0
  8 28  1  0
 10 29  1  0
 12 30  1  0
 12 31  1  0
 17 32  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(-)-(6R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinone	ChEBI
(6R)-L-Erythro-5,6,7,8-tetrahydrobiopterin	ChEBI
(6R)-L-Erythro-tetrahydrobiopterin	ChEBI
2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)-pteridinone	ChEBI
5,6,7,8-Tetrahydrobiopterin	ChEBI
6R-5,6,7,8-Tetrahydrobiopterin	ChEBI
6R-BH4	ChEBI
6R-L-5,6,7,8-Tetrahydrobiopterin	ChEBI
R-THBP	ChEBI
Sapropterina	ChEBI
Sapropterinum	ChEBI
Tetrahydrobiopterin	ChEBI
5,6,7,8-erythro-Tetrahydrobiopterin	MeSH, HMDB
5,6,7,8-tetrahydro-L-Erythrobiopterin	MeSH, HMDB
5,6,7,8-Tetrahydrobiopterin, (S-(r,s))-isomer	MeSH, HMDB
5,6,7,8-Tetrahydrodictyopterin	MeSH, HMDB
6R-L-erythro-5,6,7,8-Tetrahydrobiopterin	MeSH, HMDB
BPH4	MeSH, HMDB
D-threo-Tetrahydrobiopterin	MeSH, HMDB
THBP	MeSH, HMDB
Kuvan	MeSH, HMDB
Phenylalanine hydroxylase cofactor	MeSH, HMDB
Sapropterin dihydrochloride	MeSH, HMDB
tetrahydro-6-Biopterin	MeSH, HMDB
2',4',5'-Trihydroxybutyrophenone	MeSH
Sapropterin	MeSH
Trihydroxybutyrophenone	MeSH
1-Butanone, 1-(2,4,5-trihydroxyphenyl)	MeSH
2,4,5-Trihydroxybutyrophenone	MeSH
(6R)-5,6,7,8-Tetrahydro-L-biopterin	HMDB
(6R)-5,6,7,8-Tetrahydrobiopterin	HMDB
(6R)-Tetrahydrobiopterin	HMDB
2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinone	HMDB
6R-Tetrahydro-L-biopterin	HMDB
6beta-5,6,7,8-Tetrahydro-L-biopterin	HMDB
6β-5,6,7,8-Tetrahydro-L-biopterin	HMDB
L-erythro-Tetrahydrobiopterin	HMDB
(6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone	HMDB

Chemical Formula

C₉H₁₅N₅O₃

Average Molecular Weight

241.2471

Monoisotopic Molecular Weight

241.117489371

IUPAC Name

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

Traditional Name

tetrahydrobiopterin

CAS Registry Number

62989-33-7

SMILES

[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O

InChI Identifier

InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1

InChI Key

FNKQXYHWGSIFBK-RPDRRWSUSA-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
Aminopyrimidine
Pyrimidone
Secondary aliphatic/aromatic amine
Pyrimidine
1,3-aminoalcohol
Vinylogous amide
Heteroaromatic compound
Secondary alcohol
1,2-diol
1,2-aminoalcohol
Secondary amine
Azacycle
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Organic nitrogen compound
Amine
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

5,6,7,8-tetrahydrobiopterin (CHEBI:59560 )
Coenzymes (C00272 )

Ontology

Not Available

Exogenous (HMDB: HMDB0059658)

Process

Naturally occurring process

Biological process

Biochemical pathway

Disease pathway

Tyrosinemia Type 3 (TYRO3) (PathBank: SMP0120731)
Tyrosinemia Type 2 (or Richner-Hanhart Syndrome) (PathBank: SMP0120513)
Phenylketonuria (PathBank: SMP0120540)

Metabolic pathway

Phenylalanine and Tyrosine Metabolism (PathBank: SMP0087313)
Catecholamine Biosynthesis (HMDB: HMDB0059658)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	250 - 255 °C (hydrochloride salt)	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	2.03 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-2.7	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	13.52	ChemAxon
pKa (Strongest Basic)	1.58	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	132 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	68.43 m³·mol⁻¹	ChemAxon
Polarizability	23.67 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
DarkChem	[M+H]+	155.453	31661259
DarkChem	[M-H]-	152.252	31661259
AllCCS	[M+H]+	155.851	32859911
AllCCS	[M-H]-	154.513	32859911
DeepCCS	[M+H]+	158.973	30932474
DeepCCS	[M-H]-	156.615	30932474
DeepCCS	[M-2H]-	191.025	30932474
DeepCCS	[M+Na]+	165.89	30932474
AllCCS	[M+H]+	155.9	32859911
AllCCS	[M+H-H2O]+	152.2	32859911
AllCCS	[M+NH4]+	159.3	32859911
AllCCS	[M+Na]+	160.3	32859911
AllCCS	[M-H]-	154.5	32859911
AllCCS	[M+Na-2H]-	154.6	32859911
AllCCS	[M+HCOO]-	154.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tetrahydrobiopterin	[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O	4100.4	Standard polar	33892256
Tetrahydrobiopterin	[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O	2702.6	Standard non polar	33892256
Tetrahydrobiopterin	[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O	2903.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tetrahydrobiopterin,1TMS,isomer #1	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)[NH]2	2576.2	Semi standard non polar	33892256
Tetrahydrobiopterin,1TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)[NH]2	2606.2	Semi standard non polar	33892256
Tetrahydrobiopterin,1TMS,isomer #3	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2674.0	Semi standard non polar	33892256
Tetrahydrobiopterin,1TMS,isomer #4	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)[NH]2	2498.8	Semi standard non polar	33892256
Tetrahydrobiopterin,1TMS,isomer #5	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2485.8	Semi standard non polar	33892256
Tetrahydrobiopterin,1TMS,isomer #6	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2554.4	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)[NH]2	2536.6	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #10	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2497.8	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2542.7	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #12	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2607.9	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2480.9	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2455.9	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #15	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2357.6	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2429.6	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #2	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2517.3	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #3	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)[NH]2	2417.1	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #4	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2497.0	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2418.5	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2537.4	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)[NH]2	2439.7	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #8	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2509.2	Semi standard non polar	33892256
Tetrahydrobiopterin,2TMS,isomer #9	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2453.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2459.6	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2620.0	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #1	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	4850.5	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2347.2	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2614.7	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	3555.1	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2462.9	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2569.5	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	3750.1	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2441.9	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2694.3	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	4702.3	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2491.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2694.7	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	4735.3	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2509.7	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2704.9	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	4829.8	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2477.3	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2565.1	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3885.2	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2455.7	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2643.6	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	4085.5	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #17	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2369.2	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #17	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2612.4	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #17	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	3596.9	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #18	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2474.8	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #18	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2547.9	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #18	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	3787.3	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #19	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2479.3	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #19	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2823.3	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #19	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	4557.6	Standard polar	33892256
Tetrahydrobiopterin,3TMS,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=C(N1)C(=O)N=C(N)[NH]2	2408.2	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,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=C(N1)C(=O)N=C(N)[NH]2	2610.8	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,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=C(N1)C(=O)N=C(N)[NH]2	4024.2	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #20	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2473.9	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #20	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2821.3	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #20	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	4649.3	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #21	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2424.8	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #21	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2677.8	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #21	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3722.1	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2546.9	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2784.5	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	4694.6	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2474.2	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2650.9	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3921.8	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2476.2	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2742.7	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3795.5	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2435.6	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2656.2	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	3723.5	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2495.9	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2555.2	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	4162.5	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2420.4	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2534.9	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	3640.2	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2429.4	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2723.8	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	4641.8	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #6	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2489.8	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #6	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2704.0	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #6	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	4673.5	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2483.2	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2711.6	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	4769.0	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2457.5	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2583.0	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3847.2	Standard polar	33892256
Tetrahydrobiopterin,3TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2456.7	Semi standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2675.1	Standard non polar	33892256
Tetrahydrobiopterin,3TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	4008.7	Standard polar	33892256
Tetrahydrobiopterin,4TMS,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=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2475.0	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,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=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	2714.1	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,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=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]2	4483.5	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2457.2	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2650.5	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3398.9	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2552.5	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2803.0	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	4356.0	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #12	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2528.1	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #12	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2646.8	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #12	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3588.3	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #13	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2500.7	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #13	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2731.9	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #13	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3438.1	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #14	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2464.2	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #14	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2641.5	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #14	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	3484.5	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2521.6	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2780.6	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	4345.5	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2499.7	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2786.4	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #16	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	4461.1	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #17	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2482.1	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #17	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2625.4	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #17	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3461.6	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #18	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2564.7	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #18	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2764.2	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #18	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	4425.9	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #19	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2534.5	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #19	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2602.5	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #19	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3649.0	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2514.2	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2685.7	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #2	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	4467.3	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #20	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2535.6	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #20	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2699.3	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #20	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3496.6	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #21	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2489.6	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #21	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2629.0	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #21	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	3537.4	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2540.0	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2902.1	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	4275.0	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2495.6	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2712.3	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3444.0	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2461.1	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2824.0	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3378.9	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2542.5	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2757.8	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3577.6	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2525.2	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2737.6	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	4578.4	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2510.9	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2587.2	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3564.2	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2509.3	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	2684.9	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C	3879.1	Standard polar	33892256
Tetrahydrobiopterin,4TMS,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=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2412.8	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,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=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	2603.3	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,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=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C	3431.1	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2514.8	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2574.1	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	3608.5	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2513.8	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2830.0	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	4265.8	Standard polar	33892256
Tetrahydrobiopterin,4TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2472.9	Semi standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2832.5	Standard non polar	33892256
Tetrahydrobiopterin,4TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	4394.8	Standard polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2584.3	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	2799.4	Standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C	4088.5	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2520.6	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2815.7	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #10	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3090.4	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2599.4	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2783.5	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3270.4	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2601.9	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2883.4	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #12	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	4082.3	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2582.4	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2675.4	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #13	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3230.6	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2554.6	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2785.0	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #14	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3170.0	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2615.8	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2725.2	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #15	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3344.7	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2587.7	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2863.4	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3179.7	Standard polar	33892256
Tetrahydrobiopterin,5TMS,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=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2580.2	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,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=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	2822.3	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,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=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2	4260.2	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2554.5	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2639.3	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3191.2	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2621.0	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2773.0	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	4204.5	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2606.2	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2628.1	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #5	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3367.9	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2599.6	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2726.9	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	3222.0	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2549.3	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	2646.5	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #7	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C	3402.0	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2586.7	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2936.8	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3985.8	Standard polar	33892256
Tetrahydrobiopterin,5TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2569.6	Semi standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2706.1	Standard non polar	33892256
Tetrahydrobiopterin,5TMS,isomer #9	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3154.3	Standard polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2678.0	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	2921.6	Standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C	3826.9	Standard polar	33892256
Tetrahydrobiopterin,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=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2668.9	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2689.6	Standard non polar	33892256
Tetrahydrobiopterin,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=C(C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2970.3	Standard polar	33892256
Tetrahydrobiopterin,6TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2644.8	Semi standard non polar	33892256
Tetrahydrobiopterin,6TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2792.1	Standard non polar	33892256
Tetrahydrobiopterin,6TMS,isomer #3	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]2)N1[Si](C)(C)C	2899.9	Standard polar	33892256
Tetrahydrobiopterin,6TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2685.0	Semi standard non polar	33892256
Tetrahydrobiopterin,6TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2745.0	Standard non polar	33892256
Tetrahydrobiopterin,6TMS,isomer #4	C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	3064.5	Standard polar	33892256
Tetrahydrobiopterin,6TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2652.3	Semi standard non polar	33892256
Tetrahydrobiopterin,6TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2858.0	Standard non polar	33892256
Tetrahydrobiopterin,6TMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2881.9	Standard polar	33892256
Tetrahydrobiopterin,6TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2674.3	Semi standard non polar	33892256
Tetrahydrobiopterin,6TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2826.4	Standard non polar	33892256
Tetrahydrobiopterin,6TMS,isomer #6	C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2966.0	Standard polar	33892256
Tetrahydrobiopterin,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=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2757.3	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2833.1	Standard non polar	33892256
Tetrahydrobiopterin,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=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N2[Si](C)(C)C)N1[Si](C)(C)C	2761.1	Standard polar	33892256
Tetrahydrobiopterin,1TBDMS,isomer #1	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)[NH]2	2842.5	Semi standard non polar	33892256
Tetrahydrobiopterin,1TBDMS,isomer #2	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)[NH]2	2869.8	Semi standard non polar	33892256
Tetrahydrobiopterin,1TBDMS,isomer #3	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	2888.9	Semi standard non polar	33892256
Tetrahydrobiopterin,1TBDMS,isomer #4	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N)[NH]2	2778.5	Semi standard non polar	33892256
Tetrahydrobiopterin,1TBDMS,isomer #5	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	2780.5	Semi standard non polar	33892256
Tetrahydrobiopterin,1TBDMS,isomer #6	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	2821.6	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,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=C(N1)C(=O)N=C(N)[NH]2	3035.6	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #10	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	2977.8	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #11	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3037.1	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #12	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3016.2	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #13	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	2946.4	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #14	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	2949.1	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #15	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	2858.6	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	2933.5	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #2	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	2998.0	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #3	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=C(N1)C(=O)N=C(N)[NH]2	2913.8	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #4	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3006.2	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #5	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	2900.9	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #6	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3034.1	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,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=C(N1)C(=O)N=C(N)[NH]2	2942.9	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #8	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3029.2	Semi standard non polar	33892256
Tetrahydrobiopterin,2TBDMS,isomer #9	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	2942.9	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3182.9	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3283.4	Standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	4862.4	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #10	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=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	2998.1	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #10	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=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3318.0	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #10	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=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3662.9	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3144.8	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3237.1	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3763.1	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #12	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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3162.6	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #12	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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3317.1	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #12	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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	4773.6	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #13	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3230.6	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #13	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3282.2	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #13	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4625.2	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #14	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3196.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #14	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3344.7	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #14	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	4803.4	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #15	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3146.7	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #15	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3291.4	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #15	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3907.8	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3180.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3271.6	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	4108.5	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #17	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=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3037.4	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #17	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=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3313.1	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #17	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=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3704.2	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #18	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3169.3	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #18	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3212.4	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #18	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3805.1	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #19	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3186.6	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #19	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3434.1	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #19	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4520.1	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)[NH]2	3115.2	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)[NH]2	3259.8	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)[NH]2	4046.1	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #20	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3152.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #20	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3410.1	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #20	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	4675.5	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #21	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3080.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #21	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3368.1	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #21	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3811.5	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3220.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3373.1	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4542.1	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3156.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3294.0	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3855.6	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3126.1	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3423.0	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3797.7	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3109.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3310.9	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3799.6	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3219.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3169.0	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	4105.3	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,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]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3077.3	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3257.6	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3677.1	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #5	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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3126.1	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #5	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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3350.5	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #5	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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	4713.5	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #6	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3202.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #6	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3305.8	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #6	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4559.4	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3159.8	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3347.9	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #7	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	4748.2	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3119.1	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3314.5	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,isomer #8	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3865.1	Standard polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3168.0	Semi standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3305.2	Standard non polar	33892256
Tetrahydrobiopterin,3TBDMS,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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	4029.7	Standard polar	33892256
Tetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3325.4	Semi standard non polar	33892256
Tetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	3493.0	Standard non polar	33892256
Tetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2	4573.9	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #10	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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3263.1	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #10	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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3555.3	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #10	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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3614.4	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3369.5	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3522.7	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4302.7	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #12	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3345.8	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #12	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3464.3	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #12	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3666.4	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #13	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3289.1	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #13	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3605.7	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #13	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3599.7	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #14	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=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3342.7	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #14	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=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3477.9	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #14	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=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3682.4	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #15	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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3414.5	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #15	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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3547.9	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #15	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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4353.9	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3366.4	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3546.6	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	4523.6	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #17	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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3290.1	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #17	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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3536.8	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #17	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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3665.9	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #18	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3414.5	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #18	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3493.0	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #18	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4378.0	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #19	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3363.1	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #19	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3421.4	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #19	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3718.6	Standard polar	33892256
Tetrahydrobiopterin,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]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3387.2	Semi standard non polar	33892256
Tetrahydrobiopterin,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]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3419.3	Standard non polar	33892256
Tetrahydrobiopterin,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]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4417.3	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #20	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3330.7	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #20	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3577.1	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #20	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3646.1	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #21	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=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3358.7	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #21	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=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3465.5	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #21	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=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3727.1	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3388.9	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3635.5	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #22	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4259.5	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3339.4	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3554.2	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #23	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3626.9	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3293.1	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3687.3	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #24	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3585.1	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3365.7	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3554.5	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #25	C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3655.3	Standard polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3350.9	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3534.2	Standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	4610.3	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,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]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3288.2	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,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]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3486.8	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,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]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3712.6	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #5	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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3395.2	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #5	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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3451.3	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #5	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=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C	3948.8	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,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]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3205.6	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,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]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3484.8	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,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]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C	3610.6	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #7	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3348.4	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #7	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3378.7	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,isomer #7	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3710.2	Standard polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3384.6	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3591.9	Standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4271.8	Standard polar	33892256
Tetrahydrobiopterin,4TBDMS,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3318.8	Semi standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3584.3	Standard non polar	33892256
Tetrahydrobiopterin,4TBDMS,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	4454.4	Standard polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3564.1	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3685.2	Standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4160.8	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #10	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=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3460.9	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #10	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=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3834.2	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #10	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=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3430.3	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3544.8	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3690.5	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #11	C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3497.4	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #12	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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3589.5	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #12	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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3755.6	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #12	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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4136.8	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #13	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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3544.9	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #13	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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3673.6	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #13	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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3556.9	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #14	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=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3494.0	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #14	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=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3822.0	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #14	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=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3487.9	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #15	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3571.3	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #15	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3660.1	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #15	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3557.3	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3571.0	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3792.5	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #16	C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3475.1	Standard polar	33892256
Tetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3514.3	Semi standard non polar	33892256
Tetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	3712.8	Standard non polar	33892256
Tetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2	4343.4	Standard polar	33892256
Tetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3454.3	Semi standard non polar	33892256
Tetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3686.8	Standard non polar	33892256
Tetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3561.4	Standard polar	33892256
Tetrahydrobiopterin,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]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3562.8	Semi standard non polar	33892256
Tetrahydrobiopterin,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]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3626.9	Standard non polar	33892256
Tetrahydrobiopterin,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]1CNC2=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4204.2	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #5	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3516.5	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #5	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3572.2	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #5	C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3603.0	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,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=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3469.8	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,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=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3729.2	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,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=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]2)N1[Si](C)(C)C(C)(C)C	3525.8	Standard polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #7	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=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3556.0	Semi standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #7	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=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3622.1	Standard non polar	33892256
Tetrahydrobiopterin,5TBDMS,isomer #7	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=C(C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3672.7	Standard polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3559.8	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	3783.3	Standard non polar	33892256
Tetrahydrobiopterin,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=C(N1)C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C	4056.5	Standard polar	33892256
Tetrahydrobiopterin,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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3529.3	Semi standard non polar	33892256
Tetrahydrobiopterin,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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3692.2	Standard non polar	33892256
Tetrahydrobiopterin,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=C(C(=O)N=C(N[Si](C)(C)C(C)(C)C)N2[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3499.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Tetrahydrobiopterin GC-MS (6 TMS)	splash10-0zfr-2921300000-63bf6ee58b9df85919f6	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Tetrahydrobiopterin GC-MS (Non-derivatized)	splash10-0zfr-2921300000-63bf6ee58b9df85919f6	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0005-9810000000-1bfd11724596b460cae9	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (2 TMS) - 70eV, Positive	splash10-014i-6945000000-07faa91218e86d3bfe0d	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 4V, positive-QTOF	splash10-0006-0290000000-cd4c8c11b8279075b00a	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 5V, positive-QTOF	splash10-0006-0390000000-35dddce9e2df2a9ac198	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 7V, positive-QTOF	splash10-0006-0590000000-cda875209a034e44cbe1	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 10V, positive-QTOF	splash10-00kf-0980000000-53721c484501c528e7a8	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 15V, positive-QTOF	splash10-014l-0930000000-533fabd35a8c5ca7830e	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 17V, positive-QTOF	splash10-014i-0910000000-580c038db540047891c8	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 20V, positive-QTOF	splash10-014i-0910000000-8d6b754dadadb6330906	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 3V, positive-QTOF	splash10-0006-0090000000-f21b677255493f1f2d1f	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 23V, positive-QTOF	splash10-014i-0900000000-5c1b60d0d7ea4dd4dbff	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 25V, positive-QTOF	splash10-014i-1900000000-6f22457ab99b14bb653e	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 27V, positive-QTOF	splash10-014i-1900000000-cd0410f4da61716c7f9e	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 30V, positive-QTOF	splash10-014i-2900000000-d4f18a979b6d07e83a63	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOF	splash10-0002-0900000000-87174b78444828c3b52d	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOF	splash10-0a4i-0900000000-dc272a476d306f26c722	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOF	splash10-014i-0900000000-ae19513d01a0046ed2e8	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOF	splash10-004i-0900000000-d4a52489d35bde573bd0	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOF	splash10-0f79-0900000000-af02b0d9eb8f6577afb8	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOF	splash10-014i-0900000000-c2259602e8f1fd522fd0	2020-07-22	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Tetrahydrobiopterin Orbitrap 4V, positive-QTOF	splash10-0006-0090000000-c88ed5ea9e11715bc275	2020-07-22	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydrobiopterin 10V, Positive-QTOF	splash10-006x-0090000000-e6b01d1139ccb3c6338d	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydrobiopterin 20V, Positive-QTOF	splash10-0gi3-0980000000-8963ef41f1138b05a813	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydrobiopterin 40V, Positive-QTOF	splash10-00xr-1900000000-bcfa359703563c696c0f	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydrobiopterin 10V, Negative-QTOF	splash10-0006-0390000000-4810efa20f31adea3824	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydrobiopterin 20V, Negative-QTOF	splash10-006y-1930000000-5b32feeb643e238bb159	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tetrahydrobiopterin 40V, Negative-QTOF	splash10-0006-9400000000-a7dbebeb1df4ea110948	2015-09-15	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-20	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Nucleus

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Feces

Tissue Locations

All Tissues

Pathways

Name	SMPDB/PathBank	KEGG
Pterine Biosynthesis
Tyrosine metabolism	Not Available
Dopa-responsive dystonia		Not Available
Hyperphenylalaniemia due to guanosine triphosphate cyclohydrolase deficiency		Not Available
Hyperphenylalaninemia due to 6-pyruvoyltetrahydropterin synthase deficiency (ptps)		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.0110 +/- 0.0008 uM	Adult (>18 years old)	Both	Normal	10636262	details
Blood	Detected and Quantified	0.0093 +/- 0.0005 uM	Adult (>18 years old)	Both	Normal	17726257	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.026 (0.014-0.038) uM	Adult (>18 years old)	Both	Normal	16168596	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.16 (0.0-5.8) uM	Adult (>18 years old)	Both	Septic shock	11573638	details
Blood	Detected and Quantified	1.2 (0.8-14.9) uM	Adult (>18 years old)	Both	Septic shock	11573638	details
Blood	Detected and Quantified	0.0099 +/- 0.0008 uM	Adult (>18 years old)	Both	Smoking	10636262	details
Blood	Detected and Quantified	0.0044 +/- 0.0007 uM	Adult (>18 years old)	Both	Myocardial infarction	17726257	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	14400.0 uM	Newborn (0-30 days old)	Both	Generalized seizures	7869898	details
Feces	Detected but not Quantified	Not Quantified	Children (1-13 years old)	Both	Enthesitis-related arthritis	27786174	details

Associated Disorders and Diseases

Disease References

Septic shock
Galley HF, Le Cras AE, Yassen K, Grant IS, Webster NR: Circulating tetrahydrobiopterin concentrations in patients with septic shock. Br J Anaesth. 2001 Apr;86(4):578-80. [PubMed:11573638 ]
Smoking
Ueda S, Matsuoka H, Miyazaki H, Usui M, Okuda S, Imaizumi T: Tetrahydrobiopterin restores endothelial function in long-term smokers. J Am Coll Cardiol. 2000 Jan;35(1):71-5. [PubMed:10636262 ]
Myocardial infarction
Yada T, Kaji S, Akasaka T, Mochizuki S, Ogasawara Y, Tanemoto K, Yoshida K, Kajiya F: Changes of asymmetric dimethylarginine, nitric oxide, tetrahydrobiopterin, and oxidative stress in patients with acute myocardial infarction by medical treatments. Clin Hemorheol Microcirc. 2007;37(3):269-76. [PubMed:17726257 ]
Epilepsy
Cady EB, Lorek A, Penrice J, Reynolds EO, Iles RA, Burns SP, Coutts GA, Cowan FM: Detection of propan-1,2-diol in neonatal brain by in vivo proton magnetic resonance spectroscopy. Magn Reson Med. 1994 Dec;32(6):764-7. [PubMed:7869898 ]

Associated OMIM IDs

None

External Links

DrugBank ID

DB00360

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

40270

KEGG Compound ID

C00272

BioCyc ID

CPD-14053

BiGG ID

Not Available

Wikipedia Link

Sapropterin

METLIN ID

Not Available

PubChem Compound

44257

PDB ID

Not Available

ChEBI ID

59560

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

MDB00000014

Good Scents ID

Not Available

References

Synthesis Reference

Steven S. Gross, "Blocking utilization of tetrahydrobiopterin to block induction of nitric oxide synthesis." U.S. Patent US5502050, issued October, 1984.

Material Safety Data Sheet (MSDS)

Not Available

General References

Furukawa Y, Kish SJ, Bebin EM, Jacobson RD, Fryburg JS, Wilson WG, Shimadzu M, Hyland K, Trugman JM: Dystonia with motor delay in compound heterozygotes for GTP-cyclohydrolase I gene mutations. Ann Neurol. 1998 Jul;44(1):10-6. [PubMed:9667588 ]
Curtius HC, Heintel D, Ghisla S, Kuster T, Leimbacher W, Niederwieser A: Tetrahydrobiopterin biosynthesis. Studies with specifically labeled (2H)NAD(P)H and 2H2O and of the enzymes involved. Eur J Biochem. 1985 May 2;148(3):413-9. [PubMed:3888618 ]
Galley HF, Le Cras AE, Yassen K, Grant IS, Webster NR: Circulating tetrahydrobiopterin concentrations in patients with septic shock. Br J Anaesth. 2001 Apr;86(4):578-80. [PubMed:11573638 ]
Kuhn DM, Geddes TJ: Tetrahydrobiopterin prevents nitration of tyrosine hydroxylase by peroxynitrite and nitrogen dioxide. Mol Pharmacol. 2003 Oct;64(4):946-53. [PubMed:14500751 ]
Takikawa S, Curtius HC, Redweik U, Leimbacher W, Ghisla S: Biosynthesis of tetrahydrobiopterin. Purification and characterization of 6-pyruvoyl-tetrahydropterin synthase from human liver. Eur J Biochem. 1986 Dec 1;161(2):295-302. [PubMed:3536512 ]
Walter R, Kaufmann PA, Buck A, Berthold T, Wyss C, von Schulthess GK, Schaffner A, Schoedon G: Tetrahydrobiopterin increases myocardial blood flow in healthy volunteers: a double-blind, placebo-controlled study. Swiss Med Wkly. 2001 Feb 24;131(7-8):91-4. [PubMed:11416883 ]
Hyland K, Gunasekara RS, Munk-Martin TL, Arnold LA, Engle T: The hph-1 mouse: a model for dominantly inherited GTP-cyclohydrolase deficiency. Ann Neurol. 2003;54 Suppl 6:S46-8. [PubMed:12891653 ]
Leeming RJ, Blair JA, Melikian V, O'Gorman DJ: Biopterin derivatives in human body fluids and tissues. J Clin Pathol. 1976 May;29(5):444-51. [PubMed:932231 ]
Schallreuter KU, Moore J, Wood JM, Beazley WD, Peters EM, Marles LK, Behrens-Williams SC, Dummer R, Blau N, Thony B: Epidermal H(2)O(2) accumulation alters tetrahydrobiopterin (6BH4) recycling in vitiligo: identification of a general mechanism in regulation of all 6BH4-dependent processes? J Invest Dermatol. 2001 Jan;116(1):167-74. [PubMed:11168813 ]
Dhondt JL, Cotton RG, Danks DM: Liver enzyme activities in hyperphenylalaninaemia due to a defective synthesis of tetrahydrobiopterin. J Inherit Metab Dis. 1985;8(2):47-8. [PubMed:3939528 ]
Sawabe K, Suetake Y, Nakanishi N, Wakasugi KO, Hasegawa H: Cellular accumulation of tetrahydrobiopterin following its administration is mediated by two different processes; direct uptake and indirect uptake mediated by a methotrexate-sensitive process. Mol Genet Metab. 2005 Dec;86 Suppl 1:S133-8. Epub 2005 Sep 13. [PubMed:16165391 ]
Koch R, Moseley KD, Moats R, Yano S, Matalon R, Guttler F: Danger of high-protein dietary supplements to persons with hyperphenylalaninaemia. J Inherit Metab Dis. 2003;26(4):339-42. [PubMed:12971421 ]
Cady EB, Lorek A, Penrice J, Reynolds EO, Iles RA, Burns SP, Coutts GA, Cowan FM: Detection of propan-1,2-diol in neonatal brain by in vivo proton magnetic resonance spectroscopy. Magn Reson Med. 1994 Dec;32(6):764-7. [PubMed:7869898 ]
Matter H, Kumar HS, Fedorov R, Frey A, Kotsonis P, Hartmann E, Frohlich LG, Reif A, Pfleiderer W, Scheurer P, Ghosh DK, Schlichting I, Schmidt HH: Structural analysis of isoform-specific inhibitors targeting the tetrahydrobiopterin binding site of human nitric oxide synthases. J Med Chem. 2005 Jul 28;48(15):4783-92. [PubMed:16033258 ]
Kaufman S, Kapatos G, Rizzo WB, Schulman JD, Tamarkin L, Van Loon GR: Tetrahydropterin therapy for hyperphenylalaninemia caused by defective synthesis of tetrahydrobiopterin. Ann Neurol. 1983 Sep;14(3):308-15. [PubMed:6139056 ]
Spaapen LJ, Bakker JA, Velter C, Loots W, Rubio-Gozalbo ME, Forget PP, Dorland L, De Koning TJ, Poll-The BT, Ploos van Amstel HK, Bekhof J, Blau N, Duran M: Tetrahydrobiopterin-responsive phenylalanine hydroxylase deficiency in Dutch neonates. J Inherit Metab Dis. 2001 Jun;24(3):352-8. [PubMed:11486900 ]
Toda Y, Mori K, Hashimoto T, Miyazaki M, Nozaki S, Watanabe Y, Kuroda Y, Kagami S: Administration of secretin for autism alters dopamine metabolism in the central nervous system. Brain Dev. 2006 Mar;28(2):99-103. Epub 2005 Sep 15. [PubMed:16168596 ]
Moens AL, Kass DA: Tetrahydrobiopterin and cardiovascular disease. Arterioscler Thromb Vasc Biol. 2006 Nov;26(11):2439-44. Epub 2006 Aug 31. [PubMed:16946131 ]
Komori H, Matsuishi T, Yamada S, Yamashita Y, Ohtaki E, Kato H: Cerebrospinal fluid biopterin and biogenic amine metabolites during oral R-THBP therapy for infantile autism. J Autism Dev Disord. 1995 Apr;25(2):183-93. [PubMed:7559284 ]
Kaufman S: Biopterin-responsive hyperphenylalaninemia. J Nutr Sci Vitaminol (Tokyo). 1992;Spec No:601-6. [PubMed:1297822 ]
Sanford M, Keating GM: Spotlight on sapropterin in primary hyperphenylalaninemia. BioDrugs. 2009;23(3):201-2. doi: 10.2165/00063030-200923030-00007. [PubMed:19627172 ]
MacDonald A, Ahring K, Dokoupil K, Gokmen-Ozel H, Lammardo AM, Motzfeldt K, Robert M, Rocha JC, van Rijn M, Belanger-Quintana A: Adjusting diet with sapropterin in phenylketonuria: what factors should be considered? Br J Nutr. 2011 Jul;106(2):175-82. doi: 10.1017/S0007114511000298. [PubMed:21466737 ]
Burton BK, Nowacka M, Hennermann JB, Lipson M, Grange DK, Chakrapani A, Trefz F, Dorenbaum A, Imperiale M, Kim SS, Fernhoff PM: Safety of extended treatment with sapropterin dihydrochloride in patients with phenylketonuria: results of a phase 3b study. Mol Genet Metab. 2011 Aug;103(4):315-22. doi: 10.1016/j.ymgme.2011.03.020. Epub 2011 Mar 31. [PubMed:21646032 ]
Utz JR, Lorentz CP, Markowitz D, Rudser KD, Diethelm-Okita B, Erickson D, Whitley CB: START, a double blind, placebo-controlled pharmacogenetic test of responsiveness to sapropterin dihydrochloride in phenylketonuria patients. Mol Genet Metab. 2012 Feb;105(2):193-7. doi: 10.1016/j.ymgme.2011.10.014. Epub 2011 Oct 29. [PubMed:22112818 ]
Gordon P, Thomas JA, Suter R, Jurecki E: Evolving patient selection and clinical benefit criteria for sapropterin dihydrochloride (Kuvan(R)) treatment of PKU patients. Mol Genet Metab. 2012 Apr;105(4):672-6. doi: 10.1016/j.ymgme.2011.12.023. Epub 2012 Jan 8. [PubMed:22310224 ]
Leuret O, Barth M, Kuster A, Eyer D, de Parscau L, Odent S, Gilbert-Dussardier B, Feillet F, Labarthe F: Efficacy and safety of BH4 before the age of 4 years in patients with mild phenylketonuria. J Inherit Metab Dis. 2012 Nov;35(6):975-81. doi: 10.1007/s10545-012-9464-3. Epub 2012 Mar 3. [PubMed:22388642 ]
Ziesch B, Weigel J, Thiele A, Mutze U, Rohde C, Ceglarek U, Thiery J, Kiess W, Beblo S: Tetrahydrobiopterin (BH4) in PKU: effect on dietary treatment, metabolic control, and quality of life. J Inherit Metab Dis. 2012 Nov;35(6):983-92. doi: 10.1007/s10545-012-9458-1. Epub 2012 Mar 6. [PubMed:22391997 ]
Cunningham A, Bausell H, Brown M, Chapman M, DeFouw K, Ernst S, McClure J, McCune H, O'Steen D, Pender A, Skrabal J, Wessel A, Jurecki E, Shediac R, Prasad S, Gillis J, Cederbaum S: Recommendations for the use of sapropterin in phenylketonuria. Mol Genet Metab. 2012 Jul;106(3):269-76. doi: 10.1016/j.ymgme.2012.04.004. Epub 2012 Apr 13. [PubMed:22575621 ]
Shintaku H, Ohwada M: Long-term follow-up of tetrahydrobiopterin therapy in patients with tetrahydrobiopterin deficiency in Japan. Brain Dev. 2013 May;35(5):406-10. doi: 10.1016/j.braindev.2012.06.010. Epub 2012 Jul 24. [PubMed:22832064 ]
Somaraju UR, Merrin M: Sapropterin dihydrochloride for phenylketonuria. Cochrane Database Syst Rev. 2012 Dec 12;12:CD008005. doi: 10.1002/14651858.CD008005.pub3. [PubMed:23235653 ]
Gokmen Ozel H, Lammardo AM, Motzfeldt K, Robert M, Rocha JC, van Rijn M, Ahring K, Belanger-Quintana A, MacDonald A, Dokoupil K: Use of sapropterin in the management of phenylketonuria: seven case reports. Mol Genet Metab. 2013 Feb;108(2):109-11. doi: 10.1016/j.ymgme.2012.11.012. Epub 2012 Nov 28. [PubMed:23266371 ]
Thiele AG, Weigel JF, Ziesch B, Rohde C, Mutze U, Ceglarek U, Thiery J, Muller AS, Kiess W, Beblo S: Nutritional Changes and Micronutrient Supply in Patients with Phenylketonuria Under Therapy with Tetrahydrobiopterin (BH(4)). JIMD Rep. 2013;9:31-40. doi: 10.1007/8904_2012_176. Epub 2012 Oct 17. [PubMed:23430545 ]
Cerone R, Andria G, Giovannini M, Leuzzi V, Riva E, Burlina A: Testing for tetrahydrobiopterin responsiveness in patients with hyperphenylalaninemia due to phenylalanine hydroxylase deficiency. Adv Ther. 2013 Mar;30(3):212-28. doi: 10.1007/s12325-013-0011-x. Epub 2013 Feb 20. [PubMed:23436109 ]
Keil S, Anjema K, van Spronsen FJ, Lambruschini N, Burlina A, Belanger-Quintana A, Couce ML, Feillet F, Cerone R, Lotz-Havla AS, Muntau AC, Bosch AM, Meli CA, Billette de Villemeur T, Kern I, Riva E, Giovannini M, Damaj L, Leuzzi V, Blau N: Long-term follow-up and outcome of phenylketonuria patients on sapropterin: a retrospective study. Pediatrics. 2013 Jun;131(6):e1881-8. doi: 10.1542/peds.2012-3291. Epub 2013 May 20. [PubMed:23690520 ]
Blau N: Sapropterin dihydrochloride for the treatment of hyperphenylalaninemias. Expert Opin Drug Metab Toxicol. 2013 Sep;9(9):1207-18. doi: 10.1517/17425255.2013.804064. Epub 2013 May 27. [PubMed:23705856 ]
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Only showing the first 10 proteins. There are 15 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Tyrosinase

General function:: Involved in oxidoreductase activity
Specific function:: This is a copper-containing oxidase that functions in the formation of pigments such as melanins and other polyphenolic compounds. Catalyzes the rate-limiting conversions of tyrosine to DOPA, DOPA to DOPA-quinone and possibly 5,6-dihydroxyindole to indole-5,6 quinone.
Gene Name:: TYR
Uniprot ID:: P14679
Molecular weight:: 60392.69

References

Wood JM, Schallreuter-Wood KU, Lindsey NJ, Callaghan S, Gardner ML: A specific tetrahydrobiopterin binding domain on tyrosinase controls melanogenesis. Biochem Biophys Res Commun. 1995 Jan 17;206(2):480-5. [PubMed:7826365 ]

Enzyme Details

2. 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
Tetrahydrobiopterin + L-Tyrosine + Oxygen → DOPA + 4a-Carbinolamine tetrahydrobiopterin + Water	details

References

Madsen JT, Jansen P, Hesslinger C, Meyer M, Zimmer J, Gramsbergen JB: Tetrahydrobiopterin precursor sepiapterin provides protection against neurotoxicity of 1-methyl-4-phenylpyridinium in nigral slice cultures. J Neurochem. 2003 Apr;85(1):214-23. [PubMed:12641743 ]

Enzyme Details

3. 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
Tetrahydrobiopterin + Phenylalanine + Oxygen → 4a-Carbinolamine tetrahydrobiopterin + L-Tyrosine + Water	details

References

Andersen OA, Flatmark T, Hough E: High resolution crystal structures of the catalytic domain of human phenylalanine hydroxylase in its catalytically active Fe(II) form and binary complex with tetrahydrobiopterin. J Mol Biol. 2001 Nov 23;314(2):279-91. [PubMed:11718561 ]

Enzyme Details

4. 6-pyruvoyl tetrahydrobiopterin synthase

General function:: Involved in 6-pyruvoyltetrahydropterin synthase activity
Specific function:: Involved in the biosynthesis of tetrahydrobiopterin, an essential cofactor of aromatic amino acid hydroxylases. Catalyzes the transformation of 7,8-dihydroneopterin triphosphate into 6-pyruvoyl tetrahydropterin.
Gene Name:: PTS
Uniprot ID:: Q03393
Molecular weight:: 16385.63

Enzyme Details

5. Sepiapterin reductase

General function:: Involved in oxidoreductase activity
Specific function:: Catalyzes the final one or two reductions in tetra-hydrobiopterin biosynthesis to form 5,6,7,8-tetrahydrobiopterin.
Gene Name:: SPR
Uniprot ID:: P35270
Molecular weight:: 28048.13

Reactions

Tetrahydrobiopterin + NADP → Dyspropterin + NADPH	details
Tetrahydrobiopterin + NADP → 6-Lactoyltetrahydropterin + NADPH + Hydrogen Ion	details

References

Auerbach G, Nar H: The pathway from GTP to tetrahydrobiopterin: three-dimensional structures of GTP cyclohydrolase I and 6-pyruvoyl tetrahydropterin synthase. Biol Chem. 1997 Mar-Apr;378(3-4):185-92. [PubMed:9165069 ]

Enzyme Details

6. 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
Tetrahydrobiopterin + L-Tryptophan + Oxygen → 5-Hydroxy-L-tryptophan + 4a-Carbinolamine tetrahydrobiopterin + Water	details

References

Sumi-Ichinose C, Urano F, Kuroda R, Ohye T, Kojima M, Tazawa M, Shiraishi H, Hagino Y, Nagatsu T, Nomura T, Ichinose H: Catecholamines and serotonin are differently regulated by tetrahydrobiopterin. A study from 6-pyruvoyltetrahydropterin synthase knockout mice. J Biol Chem. 2001 Nov 2;276(44):41150-60. Epub 2001 Aug 21. [PubMed:11517215 ]

Enzyme Details

7. 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
Tetrahydrobiopterin + L-Tryptophan + Oxygen → 5-Hydroxy-L-tryptophan + 4a-Carbinolamine tetrahydrobiopterin + Water	details

Enzyme Details

8. Dihydropteridine reductase

General function:: Involved in oxidoreductase activity
Specific function:: The product of this enzyme, tetrahydrobiopterin (BH-4), is an essential cofactor for phenylalanine, tyrosine, and tryptophan hydroxylases.
Gene Name:: QDPR
Uniprot ID:: P09417
Molecular weight:: 25789.295

Reactions

4a-Carbinolamine tetrahydrobiopterin + NADH + Hydrogen Ion → Tetrahydrobiopterin + NAD	details
4a-Carbinolamine tetrahydrobiopterin + NADPH + Hydrogen Ion → Tetrahydrobiopterin + NADP	details

References

Shen RS: Inhibition of dopamine autoxidation by tetrahydrobiopterin and NADH in the presence of dihydropteridine reductase. Neurotoxicology. 1991 Summer;12(2):201-8. [PubMed:1956581 ]

Enzyme Details

9. Nitric oxide synthase, inducible

General function:: Involved in oxidoreductase activity
Specific function:: Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In macrophages, NO mediates tumoricidal and bactericidal actions. Also has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such COX2.
Gene Name:: NOS2
Uniprot ID:: P35228
Molecular weight:: 131116.3

Enzyme Details

10. Nitric oxide synthase, brain

General function:: Involved in oxidoreductase activity
Specific function:: Produces nitric oxide (NO) which is a messenger molecule with diverse functions throughout the body. In the brain and peripheral nervous system, NO displays many properties of a neurotransmitter. Probably has nitrosylase activity and mediates cysteine S-nitrosylation of cytoplasmic target proteins such SRR.
Gene Name:: NOS1
Uniprot ID:: P29475
Molecular weight:: 160969.095

References

Kamada Y, Jenkins GJ, Lau M, Dunbar AY, Lowe ER, Osawa Y: Tetrahydrobiopterin depletion and ubiquitylation of neuronal nitric oxide synthase. Brain Res Mol Brain Res. 2005 Dec 7;142(1):19-27. Epub 2005 Oct 10. [PubMed:16216381 ]

Only showing the first 10 proteins. There are 15 proteins in total.

Show all enzymes and transporters

Showing metabocard for Tetrahydrobiopterin (HMDB0000027)

MOL for HMDB0000027 (Tetrahydrobiopterin)

3D MOL for HMDB0000027 (Tetrahydrobiopterin)

3D SDF for HMDB0000027 (Tetrahydrobiopterin)

3D-SDF for HMDB0000027 (Tetrahydrobiopterin)

PDB for HMDB0000027 (Tetrahydrobiopterin)

3D PDB for HMDB0000027 (Tetrahydrobiopterin)

SMILES for HMDB0000027 (Tetrahydrobiopterin)

INCHI for HMDB0000027 (Tetrahydrobiopterin)

Structure for HMDB0000027 (Tetrahydrobiopterin)

3D Structure for HMDB0000027 (Tetrahydrobiopterin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

References

Reactions

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