Hmdb loader

Showing metabocard for Tetrahydrobiopterin (HMDB0000027)

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enzymes (15) Show 15 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:15:56 UTC
HMDB IDHMDB0000027
Secondary Accession Numbers
  • HMDB0000787
  • HMDB0002154
  • HMDB00027
  • HMDB0059658
  • HMDB00787
  • HMDB02154
  • HMDB59658
Metabolite Identification
Common NameTetrahydrobiopterin
DescriptionTetrahydrobiopterin (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
Data?1582752108
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000027 (Tetrahydrobiopterin)


  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
Download

3D MOL for HMDB0000027 (Tetrahydrobiopterin)

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
Download

3D SDF for HMDB0000027 (Tetrahydrobiopterin)


  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

$$$$
Download

3D-SDF for HMDB0000027 (Tetrahydrobiopterin)

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
Download

PDB for HMDB0000027 (Tetrahydrobiopterin)

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
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3D PDB for HMDB0000027 (Tetrahydrobiopterin)

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
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SMILES for HMDB0000027 (Tetrahydrobiopterin)

[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O
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INCHI for HMDB0000027 (Tetrahydrobiopterin)

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
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Synonyms
ValueSource
(-)-(6R)-2-Amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinoneChEBI
(6R)-L-Erythro-5,6,7,8-tetrahydrobiopterinChEBI
(6R)-L-Erythro-tetrahydrobiopterinChEBI
2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)-pteridinoneChEBI
5,6,7,8-TetrahydrobiopterinChEBI
6R-5,6,7,8-TetrahydrobiopterinChEBI
6R-BH4ChEBI
6R-L-5,6,7,8-TetrahydrobiopterinChEBI
R-THBPChEBI
SapropterinaChEBI
SapropterinumChEBI
TetrahydrobiopterinChEBI
5,6,7,8-erythro-TetrahydrobiopterinMeSH, HMDB
5,6,7,8-tetrahydro-L-ErythrobiopterinMeSH, HMDB
5,6,7,8-Tetrahydrobiopterin, (S-(r*,s*))-isomerMeSH, HMDB
5,6,7,8-TetrahydrodictyopterinMeSH, HMDB
6R-L-erythro-5,6,7,8-TetrahydrobiopterinMeSH, HMDB
BPH4MeSH, HMDB
D-threo-TetrahydrobiopterinMeSH, HMDB
THBPMeSH, HMDB
KuvanMeSH, HMDB
Phenylalanine hydroxylase cofactorMeSH, HMDB
Sapropterin dihydrochlorideMeSH, HMDB
tetrahydro-6-BiopterinMeSH, HMDB
2',4',5'-TrihydroxybutyrophenoneMeSH
SapropterinMeSH
TrihydroxybutyrophenoneMeSH
1-Butanone, 1-(2,4,5-trihydroxyphenyl)MeSH
2,4,5-TrihydroxybutyrophenoneMeSH
(6R)-5,6,7,8-Tetrahydro-L-biopterinHMDB
(6R)-5,6,7,8-TetrahydrobiopterinHMDB
(6R)-TetrahydrobiopterinHMDB
2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinoneHMDB
6R-Tetrahydro-L-biopterinHMDB
6beta-5,6,7,8-Tetrahydro-L-biopterinHMDB
6β-5,6,7,8-Tetrahydro-L-biopterinHMDB
L-erythro-TetrahydrobiopterinHMDB
(6R)-2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinoneHMDB
Chemical FormulaC9H15N5O3
Average Molecular Weight241.2471
Monoisotopic Molecular Weight241.117489371
IUPAC Name(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-1,4,5,6,7,8-hexahydropteridin-4-one
Traditional Nametetrahydrobiopterin
CAS Registry Number62989-33-7
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 KeyFNKQXYHWGSIFBK-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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassPterins and derivatives
Direct ParentBiopterins 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 FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point250 - 255 °C (hydrochloride salt)Not Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.03 g/LALOGPS
logP-1.7ALOGPS
logP-2.7ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)13.52ChemAxon
pKa (Strongest Basic)1.58ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area132 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity68.43 m³·mol⁻¹ChemAxon
Polarizability23.67 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+155.45331661259
DarkChem[M-H]-152.25231661259
AllCCS[M+H]+155.85132859911
AllCCS[M-H]-154.51332859911
DeepCCS[M+H]+158.97330932474
DeepCCS[M-H]-156.61530932474
DeepCCS[M-2H]-191.02530932474
DeepCCS[M+Na]+165.8930932474
AllCCS[M+H]+155.932859911
AllCCS[M+H-H2O]+152.232859911
AllCCS[M+NH4]+159.332859911
AllCCS[M+Na]+160.332859911
AllCCS[M-H]-154.532859911
AllCCS[M+Na-2H]-154.632859911
AllCCS[M+HCOO]-154.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Tetrahydrobiopterin[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O4100.4Standard polar33892256
Tetrahydrobiopterin[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O2702.6Standard non polar33892256
Tetrahydrobiopterin[H][C@@]1(CNC2=C(N1)C(=O)N=C(N)N2)[C@@H](O)[C@H](C)O2903.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Tetrahydrobiopterin,1TMS,isomer #1C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)[NH]22576.2Semi standard non polar33892256
Tetrahydrobiopterin,1TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)[NH]22606.2Semi standard non polar33892256
Tetrahydrobiopterin,1TMS,isomer #3C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)[NH]22674.0Semi standard non polar33892256
Tetrahydrobiopterin,1TMS,isomer #4C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=C(N1)C(=O)N=C(N)[NH]22498.8Semi standard non polar33892256
Tetrahydrobiopterin,1TMS,isomer #5C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C2485.8Semi standard non polar33892256
Tetrahydrobiopterin,1TMS,isomer #6C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C2554.4Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #1C[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]22536.6Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #10C[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]22497.8Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #11C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C)N2[Si](C)(C)C2542.7Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #12C[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]22607.9Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #13C[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)C2480.9Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #14C[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)C2455.9Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #15C[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)C2357.6Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #16C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)N2[Si](C)(C)C)N1[Si](C)(C)C2429.6Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #2C[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]22517.3Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #3C[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]22417.1Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #4C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C2497.0Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #5C[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)C2418.5Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #6C[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]22537.4Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #7C[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]22439.7Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #8C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C2509.2Semi standard non polar33892256
Tetrahydrobiopterin,2TMS,isomer #9C[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)C2453.0Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #1C[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]22459.6Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #1C[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]22620.0Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #1C[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]24850.5Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #10C[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)C2347.2Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #10C[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)C2614.7Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #10C[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)C3555.1Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #11C[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)C2462.9Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #11C[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)C2569.5Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #11C[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)C3750.1Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #12C[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]22441.9Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #12C[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]22694.3Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #12C[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]24702.3Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #13C[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)C2491.0Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #13C[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)C2694.7Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #13C[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)C4735.3Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #14C[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]22509.7Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #14C[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]22704.9Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #14C[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]24829.8Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #15C[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)C2477.3Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #15C[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)C2565.1Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #15C[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)C3885.2Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #16C[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)C2455.7Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #16C[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)C2643.6Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #16C[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)C4085.5Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #17C[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)C2369.2Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #17C[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)C2612.4Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #17C[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)C3596.9Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #18C[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)C2474.8Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #18C[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)C2547.9Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #18C[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)C3787.3Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #19C[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)C2479.3Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #19C[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)C2823.3Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #19C[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)C4557.6Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #2C[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]22408.2Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #2C[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]22610.8Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #2C[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]24024.2Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #20C[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]22473.9Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #20C[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]22821.3Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #20C[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]24649.3Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #21C[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)C2424.8Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #21C[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)C2677.8Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #21C[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)C3722.1Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #22C[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)C2546.9Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #22C[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)C2784.5Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #22C[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)C4694.6Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #23C[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)C2474.2Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #23C[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)C2650.9Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #23C[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)C3921.8Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #24C[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)C2476.2Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #24C[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)C2742.7Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #24C[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)C3795.5Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #25C[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)C2435.6Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #25C[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)C2656.2Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #25C[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)C3723.5Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #3C[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)C2495.9Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #3C[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)C2555.2Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #3C[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)C4162.5Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #4C[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)C2420.4Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #4C[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)C2534.9Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #4C[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)C3640.2Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #5C[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]22429.4Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #5C[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]22723.8Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #5C[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]24641.8Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #6C[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)C2489.8Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #6C[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)C2704.0Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #6C[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)C4673.5Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #7C[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]22483.2Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #7C[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]22711.6Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #7C[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]24769.0Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #8C[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)C2457.5Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #8C[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)C2583.0Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #8C[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)C3847.2Standard polar33892256
Tetrahydrobiopterin,3TMS,isomer #9C[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)C2456.7Semi standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #9C[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)C2675.1Standard non polar33892256
Tetrahydrobiopterin,3TMS,isomer #9C[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)C4008.7Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #1C[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]22475.0Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #1C[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]22714.1Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #1C[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]24483.5Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #10C[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)C2457.2Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #10C[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)C2650.5Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #10C[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)C3398.9Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #11C[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)C2552.5Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #11C[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)C2803.0Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #11C[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)C4356.0Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #12C[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)C2528.1Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #12C[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)C2646.8Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #12C[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)C3588.3Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #13C[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)C2500.7Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #13C[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)C2731.9Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #13C[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)C3438.1Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #14C[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)C2464.2Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #14C[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)C2641.5Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #14C[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)C3484.5Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #15C[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)C2521.6Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #15C[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)C2780.6Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #15C[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)C4345.5Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #16C[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]22499.7Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #16C[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]22786.4Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #16C[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]24461.1Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #17C[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)C2482.1Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #17C[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)C2625.4Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #17C[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)C3461.6Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #18C[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)C2564.7Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #18C[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)C2764.2Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #18C[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)C4425.9Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #19C[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)C2534.5Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #19C[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)C2602.5Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #19C[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)C3649.0Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #2C[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)C2514.2Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #2C[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)C2685.7Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #2C[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)C4467.3Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #20C[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)C2535.6Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #20C[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)C2699.3Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #20C[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)C3496.6Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #21C[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)C2489.6Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #21C[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)C2629.0Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #21C[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)C3537.4Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #22C[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)C2540.0Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #22C[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)C2902.1Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #22C[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)C4275.0Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #23C[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)C2495.6Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #23C[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)C2712.3Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #23C[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)C3444.0Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #24C[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)C2461.1Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #24C[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)C2824.0Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #24C[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)C3378.9Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #25C[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)C2542.5Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #25C[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)C2757.8Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #25C[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)C3577.6Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #3C[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]22525.2Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #3C[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]22737.6Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #3C[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]24578.4Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #4C[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)C2510.9Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #4C[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)C2587.2Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #4C[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)C3564.2Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #5C[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)C2509.3Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #5C[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)C2684.9Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #5C[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)C3879.1Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #6C[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)C2412.8Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #6C[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)C2603.3Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #6C[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)C3431.1Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #7C[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)C2514.8Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #7C[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)C2574.1Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #7C[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)C3608.5Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #8C[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)C2513.8Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #8C[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)C2830.0Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #8C[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)C4265.8Standard polar33892256
Tetrahydrobiopterin,4TMS,isomer #9C[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]22472.9Semi standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #9C[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]22832.5Standard non polar33892256
Tetrahydrobiopterin,4TMS,isomer #9C[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]24394.8Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #1C[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)C2584.3Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #1C[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)C2799.4Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #1C[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)C4088.5Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #10C[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)C2520.6Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #10C[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)C2815.7Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #10C[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)C3090.4Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #11C[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)C2599.4Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #11C[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)C2783.5Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #11C[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)C3270.4Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #12C[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)C2601.9Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #12C[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)C2883.4Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #12C[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)C4082.3Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #13C[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)C2582.4Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #13C[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)C2675.4Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #13C[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)C3230.6Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #14C[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)C2554.6Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #14C[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)C2785.0Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #14C[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)C3170.0Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #15C[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)C2615.8Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #15C[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)C2725.2Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #15C[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)C3344.7Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #16C[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)C2587.7Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #16C[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)C2863.4Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #16C[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)C3179.7Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #2C[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]22580.2Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #2C[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]22822.3Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #2C[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]24260.2Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #3C[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)C2554.5Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #3C[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)C2639.3Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #3C[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)C3191.2Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #4C[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)C2621.0Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #4C[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)C2773.0Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #4C[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)C4204.5Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #5C[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)C2606.2Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #5C[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)C2628.1Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #5C[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)C3367.9Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #6C[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)C2599.6Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #6C[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)C2726.9Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #6C[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)C3222.0Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #7C[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)C2549.3Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #7C[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)C2646.5Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #7C[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)C3402.0Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #8C[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)C2586.7Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #8C[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)C2936.8Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #8C[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)C3985.8Standard polar33892256
Tetrahydrobiopterin,5TMS,isomer #9C[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)C2569.6Semi standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #9C[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)C2706.1Standard non polar33892256
Tetrahydrobiopterin,5TMS,isomer #9C[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)C3154.3Standard polar33892256
Tetrahydrobiopterin,6TMS,isomer #1C[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)C2678.0Semi standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #1C[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)C2921.6Standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #1C[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)C3826.9Standard polar33892256
Tetrahydrobiopterin,6TMS,isomer #2C[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)C2668.9Semi standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #2C[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)C2689.6Standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #2C[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)C2970.3Standard polar33892256
Tetrahydrobiopterin,6TMS,isomer #3C[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)C2644.8Semi standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #3C[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)C2792.1Standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #3C[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)C2899.9Standard polar33892256
Tetrahydrobiopterin,6TMS,isomer #4C[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)C2685.0Semi standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #4C[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)C2745.0Standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #4C[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)C3064.5Standard polar33892256
Tetrahydrobiopterin,6TMS,isomer #5C[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)C2652.3Semi standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #5C[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)C2858.0Standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #5C[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)C2881.9Standard polar33892256
Tetrahydrobiopterin,6TMS,isomer #6C[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)C2674.3Semi standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #6C[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)C2826.4Standard non polar33892256
Tetrahydrobiopterin,6TMS,isomer #6C[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)C2966.0Standard polar33892256
Tetrahydrobiopterin,7TMS,isomer #1C[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)C2757.3Semi standard non polar33892256
Tetrahydrobiopterin,7TMS,isomer #1C[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)C2833.1Standard non polar33892256
Tetrahydrobiopterin,7TMS,isomer #1C[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)C2761.1Standard polar33892256
Tetrahydrobiopterin,1TBDMS,isomer #1C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=C(N1)C(=O)N=C(N)[NH]22842.5Semi standard non polar33892256
Tetrahydrobiopterin,1TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)[NH]22869.8Semi standard non polar33892256
Tetrahydrobiopterin,1TBDMS,isomer #3C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N[Si](C)(C)C(C)(C)C)[NH]22888.9Semi standard non polar33892256
Tetrahydrobiopterin,1TBDMS,isomer #4C[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]22778.5Semi standard non polar33892256
Tetrahydrobiopterin,1TBDMS,isomer #5C[C@H](O)[C@H](O)[C@H]1CNC2=C(C(=O)N=C(N)[NH]2)N1[Si](C)(C)C(C)(C)C2780.5Semi standard non polar33892256
Tetrahydrobiopterin,1TBDMS,isomer #6C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N=C(N)N2[Si](C)(C)C(C)(C)C2821.6Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #1C[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]23035.6Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #10C[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]22977.8Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #11C[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)C3037.1Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #12C[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]23016.2Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #13C[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)C2946.4Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #14C[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)C2949.1Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #15C[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)C2858.6Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #16C[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)C2933.5Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #2C[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]22998.0Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #3C[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]22913.8Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #4C[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)C3006.2Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #5C[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)C2900.9Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #6C[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]23034.1Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #7C[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]22942.9Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #8C[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)C3029.2Semi standard non polar33892256
Tetrahydrobiopterin,2TBDMS,isomer #9C[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)C2942.9Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #1C[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]23182.9Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #1C[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]23283.4Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #1C[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]24862.4Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #10C[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)C2998.1Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #10C[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)C3318.0Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #10C[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)C3662.9Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #11C[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)C3144.8Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #11C[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)C3237.1Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #11C[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)C3763.1Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #12C[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]23162.6Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #12C[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]23317.1Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #12C[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]24773.6Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #13C[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)C3230.6Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #13C[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)C3282.2Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #13C[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)C4625.2Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #14C[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]23196.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #14C[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]23344.7Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #14C[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]24803.4Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #15C[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)C3146.7Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #15C[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)C3291.4Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #15C[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)C3907.8Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #16C[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)C3180.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #16C[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)C3271.6Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #16C[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)C4108.5Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #17C[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)C3037.4Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #17C[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)C3313.1Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #17C[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)C3704.2Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #18C[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)C3169.3Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #18C[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)C3212.4Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #18C[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)C3805.1Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #19C[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)C3186.6Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #19C[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)C3434.1Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #19C[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)C4520.1Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #2C[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]23115.2Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #2C[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]23259.8Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #2C[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]24046.1Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #20C[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]23152.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #20C[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]23410.1Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #20C[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]24675.5Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #21C[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)C3080.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #21C[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)C3368.1Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #21C[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)C3811.5Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #22C[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)C3220.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #22C[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)C3373.1Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #22C[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)C4542.1Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #23C[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)C3156.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #23C[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)C3294.0Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #23C[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)C3855.6Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #24C[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)C3126.1Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #24C[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)C3423.0Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #24C[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)C3797.7Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #25C[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)C3109.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #25C[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)C3310.9Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #25C[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)C3799.6Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #3C[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)C3219.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #3C[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)C3169.0Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #3C[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)C4105.3Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #4C[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)C3077.3Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #4C[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)C3257.6Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #4C[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)C3677.1Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #5C[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]23126.1Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #5C[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]23350.5Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #5C[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]24713.5Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #6C[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)C3202.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #6C[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)C3305.8Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #6C[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)C4559.4Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #7C[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]23159.8Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #7C[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]23347.9Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #7C[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]24748.2Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #8C[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)C3119.1Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #8C[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)C3314.5Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #8C[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)C3865.1Standard polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #9C[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)C3168.0Semi standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #9C[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)C3305.2Standard non polar33892256
Tetrahydrobiopterin,3TBDMS,isomer #9C[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)C4029.7Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #1C[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]23325.4Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #1C[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]23493.0Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #1C[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]24573.9Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #10C[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)C3263.1Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #10C[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)C3555.3Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #10C[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)C3614.4Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #11C[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)C3369.5Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #11C[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)C3522.7Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #11C[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)C4302.7Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #12C[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)C3345.8Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #12C[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)C3464.3Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #12C[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)C3666.4Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #13C[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)C3289.1Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #13C[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)C3605.7Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #13C[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)C3599.7Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #14C[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)C3342.7Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #14C[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)C3477.9Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #14C[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)C3682.4Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #15C[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)C3414.5Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #15C[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)C3547.9Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #15C[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)C4353.9Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #16C[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]23366.4Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #16C[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]23546.6Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #16C[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]24523.6Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #17C[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)C3290.1Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #17C[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)C3536.8Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #17C[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)C3665.9Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #18C[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)C3414.5Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #18C[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)C3493.0Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #18C[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)C4378.0Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #19C[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)C3363.1Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #19C[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)C3421.4Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #19C[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)C3718.6Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #2C[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)C3387.2Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #2C[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)C3419.3Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #2C[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)C4417.3Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #20C[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)C3330.7Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #20C[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)C3577.1Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #20C[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)C3646.1Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #21C[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)C3358.7Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #21C[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)C3465.5Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #21C[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)C3727.1Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #22C[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)C3388.9Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #22C[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)C3635.5Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #22C[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)C4259.5Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #23C[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)C3339.4Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #23C[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)C3554.2Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #23C[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)C3626.9Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #24C[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)C3293.1Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #24C[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)C3687.3Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #24C[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)C3585.1Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #25C[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)C3365.7Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #25C[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)C3554.5Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #25C[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)C3655.3Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #3C[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]23350.9Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #3C[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]23534.2Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #3C[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]24610.3Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #4C[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)C3288.2Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #4C[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)C3486.8Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #4C[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)C3712.6Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #5C[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)C3395.2Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #5C[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)C3451.3Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #5C[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)C3948.8Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #6C[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)C3205.6Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #6C[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)C3484.8Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #6C[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)C3610.6Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #7C[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)C3348.4Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #7C[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)C3378.7Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #7C[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)C3710.2Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #8C[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)C3384.6Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #8C[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)C3591.9Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #8C[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)C4271.8Standard polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #9C[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]23318.8Semi standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #9C[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]23584.3Standard non polar33892256
Tetrahydrobiopterin,4TBDMS,isomer #9C[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]24454.4Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #1C[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)C3564.1Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #1C[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)C3685.2Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #1C[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)C4160.8Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #10C[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)C3460.9Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #10C[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)C3834.2Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #10C[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)C3430.3Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #11C[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)C3544.8Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #11C[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)C3690.5Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #11C[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)C3497.4Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #12C[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)C3589.5Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #12C[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)C3755.6Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #12C[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)C4136.8Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #13C[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)C3544.9Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #13C[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)C3673.6Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #13C[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)C3556.9Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #14C[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)C3494.0Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #14C[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)C3822.0Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #14C[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)C3487.9Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #15C[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)C3571.3Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #15C[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)C3660.1Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #15C[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)C3557.3Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #16C[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)C3571.0Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #16C[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)C3792.5Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #16C[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)C3475.1Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #2C[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]23514.3Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #2C[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]23712.8Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #2C[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]24343.4Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #3C[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)C3454.3Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #3C[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)C3686.8Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #3C[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)C3561.4Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #4C[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)C3562.8Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #4C[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)C3626.9Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #4C[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)C4204.2Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #5C[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)C3516.5Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #5C[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)C3572.2Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #5C[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)C3603.0Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #6C[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)C3469.8Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #6C[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)C3729.2Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #6C[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)C3525.8Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #7C[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)C3556.0Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #7C[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)C3622.1Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #7C[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)C3672.7Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #8C[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)C3559.8Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #8C[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)C3783.3Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #8C[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)C4056.5Standard polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #9C[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)C3529.3Semi standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #9C[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)C3692.2Standard non polar33892256
Tetrahydrobiopterin,5TBDMS,isomer #9C[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)C3499.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Tetrahydrobiopterin GC-MS (6 TMS)splash10-0zfr-2921300000-63bf6ee58b9df85919f62014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Tetrahydrobiopterin GC-MS (Non-derivatized)splash10-0zfr-2921300000-63bf6ee58b9df85919f62017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0005-9810000000-1bfd11724596b460cae92017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (2 TMS) - 70eV, Positivesplash10-014i-6945000000-07faa91218e86d3bfe0d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydrobiopterin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 4V, positive-QTOFsplash10-0006-0290000000-cd4c8c11b8279075b00a2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 5V, positive-QTOFsplash10-0006-0390000000-35dddce9e2df2a9ac1982020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 7V, positive-QTOFsplash10-0006-0590000000-cda875209a034e44cbe12020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 10V, positive-QTOFsplash10-00kf-0980000000-53721c484501c528e7a82020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 15V, positive-QTOFsplash10-014l-0930000000-533fabd35a8c5ca7830e2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 17V, positive-QTOFsplash10-014i-0910000000-580c038db540047891c82020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 20V, positive-QTOFsplash10-014i-0910000000-8d6b754dadadb63309062020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 3V, positive-QTOFsplash10-0006-0090000000-f21b677255493f1f2d1f2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 23V, positive-QTOFsplash10-014i-0900000000-5c1b60d0d7ea4dd4dbff2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 25V, positive-QTOFsplash10-014i-1900000000-6f22457ab99b14bb653e2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 27V, positive-QTOFsplash10-014i-1900000000-cd0410f4da61716c7f9e2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin QTOF 30V, positive-QTOFsplash10-014i-2900000000-d4f18a979b6d07e83a632020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOFsplash10-0002-0900000000-87174b78444828c3b52d2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOFsplash10-0a4i-0900000000-dc272a476d306f26c7222020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOFsplash10-014i-0900000000-ae19513d01a0046ed2e82020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOFsplash10-004i-0900000000-d4a52489d35bde573bd02020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOFsplash10-0f79-0900000000-af02b0d9eb8f6577afb82020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin n/a 16V, positive-QTOFsplash10-014i-0900000000-c2259602e8f1fd522fd02020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Tetrahydrobiopterin Orbitrap 4V, positive-QTOFsplash10-0006-0090000000-c88ed5ea9e11715bc2752020-07-22HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrobiopterin 10V, Positive-QTOFsplash10-006x-0090000000-e6b01d1139ccb3c6338d2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrobiopterin 20V, Positive-QTOFsplash10-0gi3-0980000000-8963ef41f1138b05a8132015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrobiopterin 40V, Positive-QTOFsplash10-00xr-1900000000-bcfa359703563c696c0f2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrobiopterin 10V, Negative-QTOFsplash10-0006-0390000000-4810efa20f31adea38242015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrobiopterin 20V, Negative-QTOFsplash10-006y-1930000000-5b32feeb643e238bb1592015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Tetrahydrobiopterin 40V, Negative-QTOFsplash10-0006-9400000000-a7dbebeb1df4ea1109482015-09-15Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-20Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Nucleus
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
Tissue Locations
  • All Tissues
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.0110 +/- 0.0008 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.0093 +/- 0.0005 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.026 (0.014-0.038) uMAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.16 (0.0-5.8) uMAdult (>18 years old)Both
Septic shock		 details
BloodDetected and Quantified1.2 (0.8-14.9) uMAdult (>18 years old)Both
Septic shock		 details
BloodDetected and Quantified0.0099 +/- 0.0008 uMAdult (>18 years old)BothSmoking details
BloodDetected and Quantified0.0044 +/- 0.0007 uMAdult (>18 years old)Both
Myocardial infarction		 details
Cerebrospinal Fluid (CSF)Detected and Quantified14400.0 uMNewborn (0-30 days old)BothGeneralized seizures details
FecesDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)BothEnthesitis-related arthritis details
Associated Disorders and Diseases
Disease References
Septic shock
  1. 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
  1. 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
  1. 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
  1. 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 IDsNone
DrugBank IDDB00360
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID40270
KEGG Compound IDC00272
BioCyc IDCPD-14053
BiGG IDNot Available
Wikipedia LinkSapropterin
METLIN IDNot Available
PubChem Compound44257
PDB IDNot Available
ChEBI ID59560
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000014
Good Scents IDNot Available
References
Synthesis ReferenceSteven 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)Download (PDF)
General References
  1. 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 ]
  2. 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 ]
  3. 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 ]
  4. 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 ]
  5. 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 ]
  6. 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 ]
  7. 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 ]
  8. 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 ]
  9. 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 ]
  10. 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 ]
  11. 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 ]
  12. 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 ]
  13. 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 ]
  14. 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 ]
  15. 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 ]
  16. 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 ]
  17. 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 ]
  18. Moens AL, Kass DA: Tetrahydrobiopterin and cardiovascular disease. Arterioscler Thromb Vasc Biol. 2006 Nov;26(11):2439-44. Epub 2006 Aug 31. [PubMed:16946131 ]
  19. 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 ]
  20. Kaufman S: Biopterin-responsive hyperphenylalaninemia. J Nutr Sci Vitaminol (Tokyo). 1992;Spec No:601-6. [PubMed:1297822 ]
  21. Sanford M, Keating GM: Spotlight on sapropterin in primary hyperphenylalaninemia. BioDrugs. 2009;23(3):201-2. doi: 10.2165/00063030-200923030-00007. [PubMed:19627172 ]
  22. 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 ]
  23. 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 ]
  24. 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 ]
  25. 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 ]
  26. 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 ]
  27. 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 ]
  28. 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 ]
  29. 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 ]
  30. 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 ]
  31. 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 ]
  32. 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 ]
  33. 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 ]
  34. 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 ]
  35. 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 ]
  36. Douglas TD, Jinnah HA, Bernhard D, Singh RH: The effects of sapropterin on urinary monoamine metabolites in phenylketonuria. Mol Genet Metab. 2013 Jul;109(3):243-50. doi: 10.1016/j.ymgme.2013.04.017. Epub 2013 May 1. [PubMed:23712020 ]
  37. Stanhewicz AE, Alexander LM, Kenney WL: Oral sapropterin acutely augments reflex vasodilation in aged human skin through nitric oxide-dependent mechanisms. J Appl Physiol (1985). 2013 Oct 1;115(7):972-8. doi: 10.1152/japplphysiol.00481.2013. Epub 2013 Jun 6. [PubMed:23743404 ]

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
  1. 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 → L-Dopa + 4a-Hydroxytetrahydrobiopterindetails
Tetrahydrobiopterin + L-Tyrosine + Oxygen → L-Dopa + 4a-Carbinolamine tetrahydrobiopterin + Waterdetails
References
  1. 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
L-Phenylalanine + Tetrahydrobiopterin + Oxygen → L-Tyrosine + 4a-Hydroxytetrahydrobiopterindetails
Tetrahydrobiopterin + L-Phenylalanine + Oxygen → 4a-Carbinolamine tetrahydrobiopterin + L-Tyrosine + Waterdetails
References
  1. 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 + NADPHdetails
Tetrahydrobiopterin + NADP → 6-Lactoyltetrahydropterin + NADPH + Hydrogen Iondetails
References
  1. 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-Hydroxytetrahydrobiopterindetails
Tetrahydrobiopterin + L-Tryptophan + Oxygen → 5-Hydroxy-L-tryptophan + 4a-Carbinolamine tetrahydrobiopterin + Waterdetails
References
  1. 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-Hydroxytetrahydrobiopterindetails
Tetrahydrobiopterin + L-Tryptophan + Oxygen → 5-Hydroxy-L-tryptophan + 4a-Carbinolamine tetrahydrobiopterin + Waterdetails
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 + NADdetails
4a-Carbinolamine tetrahydrobiopterin + NADPH + Hydrogen Ion → Tetrahydrobiopterin + NADPdetails
References
  1. 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
  1. 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.

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