Hmdb loader

Showing metabocard for 4a-Hydroxytetrahydrobiopterin (HMDB0002281)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (6) Show 6 proteinsXML
enzymes (6) Show 6 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 14:17:46 UTC
Update Date2021-09-14 15:15:55 UTC
HMDB IDHMDB0002281
Secondary Accession Numbers
  • HMDB0012482
  • HMDB02281
  • HMDB12482
Metabolite Identification
Common Name4a-Hydroxytetrahydrobiopterin
DescriptionTetrahydrobiopterin (BH4) is essential for catalyzing the conversion of phenylalanine into tyrosine by phenylalanine hydroxylase. During this physiological reaction, the oxidation of BH4 creates 4a-hydroxytetrahydropterin (CAS: 70110-58-6) intermediates and hydrogen peroxide is formed. The hydrogen peroxide and the hydroxytetrahydropterin can both be derived from alternate breakdown routes of a common precursor, the corresponding 4a-hydroperoxytetrahydropterin (PMID: 8323303 ).
Structure
Data?1582752241
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)


  Mrv1652309042000272D          

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

3D MOL for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

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

3D SDF for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)


  Mrv1652309042000272D          

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

> <DATABASE_NAME>
hmdb

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

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

> <INCHI_KEY>
KJKIEFUPAPPGBC-XXKOCQOQSA-N

> <FORMULA>
C9H15N5O4

> <MOLECULAR_WEIGHT>
257.25

> <EXACT_MASS>
257.112403983

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
23.974819443414184

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.29

> <JCHEM_LOGP>
-3.1342584666666666

> <ALOGPS_LOGS>
-1.73

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.535559580937274

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.80938680121844

> <JCHEM_PKA_STRONGEST_BASIC>
3.0972551243955766

> <JCHEM_POLAR_SURFACE_AREA>
152.56

> <JCHEM_REFRACTIVITY>
58.59530000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.81e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$
Download

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

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

PDB for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0    8663.1078665.948   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8667.1018665.182   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8668.4338664.408   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8669.7698665.182   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    8668.4338662.870   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8667.1018666.722   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8661.7788666.725   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0    8659.1158662.091   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0    8661.7788665.174   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0    8660.4448664.404   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0    8660.4448662.864   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0    8661.7788662.094   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0    8664.4388665.174   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0    8663.1048664.404   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8663.1048662.864   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0    8664.4388662.094   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0    8665.7718662.864   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8665.7718664.404   0.000  0.00  0.00           C+0
HETATM   19  H   UNK     0    8665.7678665.944   0.000  0.00  0.00           H+0
CONECT    1   14                                                            
CONECT    2    3    6   18                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2                                                            
CONECT    7    9                                                            
CONECT    8   11                                                            
CONECT    9   10    7   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12    8                                                  
CONECT   12   11   15                                                       
CONECT   13   14   18                                                       
CONECT   14   15   13    9    1                                             
CONECT   15   14   16   12                                                  
CONECT   16   15   17                                                       
CONECT   17   18   16                                                       
CONECT   18   17   13    2   19                                             
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   40    0
END
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3D PDB for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

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

[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O
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INCHI for HMDB0002281 (4a-Hydroxytetrahydrobiopterin)

InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)/t3-,4+,5-,9-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(4AS,6R)-4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterinChEBI
(6R)-6-(L-Erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterinChEBI
4a-Hydroxy-5,6,4,8-tetrahydrobiopterinKegg
6-[(1R,2S)-1,2-Dihydroxypropyl]-5,6,7,8-tetrahydro-4a-hydroxypterinKegg
4a-HTHBHMDB
4a-Hydroxy-5,6,7,8-tetrahydrobiopterinHMDB
4a-Hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterinHMDB
4a-HydroxytetrahydrobiopterinHMDB
Chemical FormulaC9H15N5O4
Average Molecular Weight257.25
Monoisotopic Molecular Weight257.112403983
IUPAC Name(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-4,4a,5,6,7,8-hexahydropteridin-4-one
Traditional Name(4aS,6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4a-hydroxy-5,6,7,8-tetrahydropteridin-4-one
CAS Registry Number1379003-93-6
SMILES
[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O
InChI Identifier
InChI=1S/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)/t3-,4+,5-,9-/m0/s1
InChI KeyKJKIEFUPAPPGBC-XXKOCQOQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassPterins and derivatives
Direct ParentBiopterins and derivatives
Alternative Parents
Substituents
  • Biopterin
  • Alpha-amino acid or derivatives
  • Pyrimidone
  • Imidolactam
  • Hydropyrimidine
  • 1,4,5,6-tetrahydropyrimidine
  • Pyrimidine
  • 1,2-diol
  • Amino acid or derivatives
  • Guanidine
  • N-acylimine
  • Secondary alcohol
  • Alkanolamine
  • Amidine
  • Carboxylic acid amidine
  • Carboxylic acid derivative
  • Azacycle
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Secondary amine
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxygen compound
  • Alcohol
  • Amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.81 g/LALOGPS
logP-2.3ALOGPS
logP-3.1ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)9.81ChemAxon
pKa (Strongest Basic)3.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area152.56 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity58.6 m³·mol⁻¹ChemAxon
Polarizability23.97 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
DeepCCS[M+H]+157.86330932474
DeepCCS[M-H]-155.46730932474
DeepCCS[M-2H]-189.7430932474
DeepCCS[M+Na]+164.27530932474
AllCCS[M+H]+157.332859911
AllCCS[M+H-H2O]+153.832859911
AllCCS[M+NH4]+160.732859911
AllCCS[M+Na]+161.632859911
AllCCS[M-H]-156.932859911
AllCCS[M+Na-2H]-156.632859911
AllCCS[M+HCOO]-156.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
4a-Hydroxytetrahydrobiopterin[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O4410.2Standard polar33892256
4a-Hydroxytetrahydrobiopterin[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O2464.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin[H][C@@]1(CNC2=NC(N)=NC(=O)[C@]2(O)N1)[C@@H](O)[C@H](C)O2881.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #1C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N12527.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N12473.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N12492.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #4C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N12562.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #5C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N12461.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TMS,isomer #6C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C2437.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N12461.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #10C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N12475.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #11C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N12420.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #12C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C2439.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #13C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N12470.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #14C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12537.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #15C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2455.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #16C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C2384.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #2C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N12443.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #3C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12505.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #4C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N12445.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #5C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2455.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N12427.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #7C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N12462.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #8C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N12396.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C2442.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N12440.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #10C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2473.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #11C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2394.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #12C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N12437.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #13C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N12368.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #14C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C2408.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #15C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N12414.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #16C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12466.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #17C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2450.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #18C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C2381.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #19C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N12414.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12467.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #20C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12488.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #21C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2455.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #22C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C2391.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #23C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12436.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #24C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2458.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #25C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2488.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N12391.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2455.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #5C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12452.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #6C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N12393.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #7C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2438.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #8C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12446.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TMS,isomer #9C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12496.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12485.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12479.9Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #1C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N15387.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2480.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2571.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4978.0Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #11C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2404.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #11C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2496.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #11C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4487.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #12C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12466.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #12C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12538.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #12C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N14940.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #13C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2464.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #13C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2565.2Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #13C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4595.0Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #14C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2540.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #14C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2619.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #14C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4716.6Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #15C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N12434.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #15C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N12439.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #15C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N14583.4Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #16C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12516.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #16C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12473.9Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #16C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N14599.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #17C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2468.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #17C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2554.9Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #17C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4586.0Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #18C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C2396.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #18C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C2474.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #18C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C4332.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #19C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12444.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #19C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12480.0Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #19C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N14473.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N12421.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N12416.3Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N14692.0Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #20C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2447.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #20C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2513.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #20C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4336.6Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #21C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2491.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #21C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2585.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #21C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4484.6Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #22C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12469.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #22C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12476.9Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #22C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N14527.0Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #23C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2467.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #23C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2523.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #23C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4348.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #24C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2516.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #24C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2609.3Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #24C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4487.2Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #25C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2480.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #25C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2600.1Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #25C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4294.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2463.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2498.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4714.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12445.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12485.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N15139.4Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #5C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12552.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #5C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12488.0Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #5C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N15166.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2493.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2573.0Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4958.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #7C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2407.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #7C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2501.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #7C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4489.6Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #8C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12441.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #8C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12489.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #8C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N15125.0Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12518.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12490.3Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N15156.1Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12508.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12518.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N15027.3Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2583.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2602.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4506.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #11C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2539.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #11C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2646.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #11C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4144.1Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #12C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12539.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #12C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N12492.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #12C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N14275.4Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #13C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2497.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #13C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2532.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #13C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4149.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #14C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2584.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #14C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2578.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #14C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4268.1Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #15C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2509.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #15C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2583.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #15C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4056.0Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #16C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2528.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #16C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2588.9Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #16C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C4079.7Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12612.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12514.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #2C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N15085.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2557.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2574.4Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4842.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2489.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2515.9Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4401.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #5C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12568.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #5C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12540.9Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #5C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N14794.0Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2497.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2574.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4405.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #7C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2618.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #7C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2606.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #7C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4498.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #8C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12531.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #8C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12550.3Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #8C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N14770.1Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2493.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2575.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4400.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12647.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N12569.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N14637.1Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2594.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2601.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4226.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2701.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2614.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #3C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C4331.7Standard polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2646.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2656.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #4C[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C3949.0Standard polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #5C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2613.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #5C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2661.2Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #5C[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C3932.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2614.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C2602.1Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,6TMS,isomer #6C[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C3873.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2733.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C2671.2Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C)N1[Si](C)(C)C3739.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #1C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N12676.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #2C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N12664.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N12665.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #4C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N12749.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #5C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N12683.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,1TBDMS,isomer #6C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C2665.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N12817.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #10C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N12838.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #11C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N12815.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C2852.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #13C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N12870.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #14C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N12863.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #15C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C2844.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #16C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C2821.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #2C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N12805.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #3C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N12855.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #4C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N12815.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #5C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2826.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,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=NC(N)=NC(=O)[C@]2(O)N12817.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #7C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N12835.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,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=NC(N)=NC(=O)[C@]2(O)N12821.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,2TBDMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C2862.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13029.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #10C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3026.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #11C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2998.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13006.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #13C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N13005.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #14C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3045.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #15C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13004.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #16C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13007.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #17C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3040.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #18C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3015.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #19C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13011.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13040.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #20C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N12995.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #21C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3030.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #22C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3012.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #23C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13012.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #24C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3031.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #25C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3040.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #3C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13016.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3061.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #5C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13030.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #6C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13017.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #7C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3051.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #8C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13022.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,3TBDMS,isomer #9C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13040.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13241.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13210.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N15562.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3243.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3341.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4974.4Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #11C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3221.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #11C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3330.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #11C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4586.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #12C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13223.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #12C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13249.3Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #12C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N14933.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #13C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3216.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #13C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3318.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #13C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4597.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #14C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3256.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #14C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3333.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #14C[C@H](O)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4648.7Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #15C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13186.3Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #15C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13201.4Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #15C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N14669.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #16C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13206.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #16C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13194.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #16C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N14690.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #17C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3220.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #17C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3315.3Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #17C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4622.7Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #18C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3208.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #18C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3296.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #18C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4460.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #19C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13198.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #19C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13211.4Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #19C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N14508.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13223.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13215.1Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N14796.3Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #20C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3218.9Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #20C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3266.9Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #20C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4399.6Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #21C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3228.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #21C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3302.3Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #21C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4472.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #22C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13206.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #22C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13203.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #22C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N14563.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #23C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3209.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #23C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3270.3Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #23C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4421.4Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #24C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3224.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #24C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3310.1Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #24C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4485.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #25C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3236.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #25C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3314.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #25C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4332.2Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3259.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3331.4Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4783.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13225.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13235.4Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #4C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N15236.3Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #5C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13249.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #5C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13186.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #5C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N15248.7Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #6C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3240.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #6C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3328.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #6C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4968.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,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=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3222.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,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=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3329.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,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=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4590.3Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13215.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13244.1Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N15217.4Standard polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13247.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13194.3Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,4TBDMS,isomer #9C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N15240.5Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13408.7Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13392.9Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N15097.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3452.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3459.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #10C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4474.1Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #11C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3445.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #11C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3510.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #11C[C@H](O)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4193.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13401.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N13357.4Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #12C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N14365.7Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #13C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3395.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #13C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3418.2Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #13C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4269.4Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #14C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3422.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #14C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3431.0Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #14C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4328.2Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #15C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3423.8Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #15C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3454.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #15C[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4172.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,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=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3422.0Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,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=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C3455.2Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,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=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O)N1[Si](C)(C)C(C)(C)C4196.9Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13439.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13328.6Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N15133.1Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3422.2Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3445.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CNC2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4814.2Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3408.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3466.1Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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]1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4532.3Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #5C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13450.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #5C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13392.7Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #5C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N14771.2Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #6C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3422.4Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #6C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3463.8Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #6C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CN([Si](C)(C)C(C)(C)C)C2=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4434.8Standard polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #7C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3458.1Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #7C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3456.4Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,5TBDMS,isomer #7C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4477.7Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13433.5Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N13406.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N14750.3Standard polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3419.6Semi standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3470.5Standard non polar33892256
4a-Hydroxytetrahydrobiopterin,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=NC(N[Si](C)(C)C(C)(C)C)=NC(=O)[C@]2(O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4423.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 4a-Hydroxytetrahydrobiopterin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 10V, Positive-QTOFsplash10-0a4l-0090000000-364ec2c50acd77d83ef02019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 20V, Positive-QTOFsplash10-00gl-0690000000-f15f00b5ba6b8f2959b92019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 40V, Positive-QTOFsplash10-0005-9720000000-9884aa4c6eb7899b87e92019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 10V, Negative-QTOFsplash10-0bt9-2290000000-43723819afb4c98b5ceb2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 20V, Negative-QTOFsplash10-0006-9210000000-fa8eb33fdfed731f1c822019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 40V, Negative-QTOFsplash10-0006-9100000000-c550affb7745a16d59b42019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 10V, Positive-QTOFsplash10-0a4i-0090000000-2e38d752208e421512bf2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 20V, Positive-QTOFsplash10-052f-0390000000-b6be9ce0bc335a4746572021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 40V, Positive-QTOFsplash10-014i-1900000000-d33dcfe8d8e5a4b0dbc42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 10V, Negative-QTOFsplash10-0a4i-0190000000-41b062345c98026b73202021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 20V, Negative-QTOFsplash10-0bti-1390000000-91a5c824226e2ce65d2b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 4a-Hydroxytetrahydrobiopterin 40V, Negative-QTOFsplash10-001l-4900000000-3857d5c10638c2febd7c2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB022944
KNApSAcK IDNot Available
Chemspider ID30792101
KEGG Compound IDC15522
BioCyc IDCPD-5881
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6591
PubChem Compound135476770
PDB IDNot Available
ChEBI ID15642
Food Biomarker OntologyNot Available
VMH IDTHBPT4ACAM
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Rebrin I, Thony B, Bailey SW, Ayling JE: Stereospecificity and catalytic function of histidine residues in 4a-hydroxy-tetrahydropterin dehydratase/DCoH. Biochemistry. 1998 Aug 11;37(32):11246-54. [PubMed:9698371 ]
  2. Almas B, Haavik J, Flatmark T: Characterization of a novel pterin intermediate formed in the catalytic cycle of tyrosine hydroxylase. Biochem J. 1996 Nov 1;319 ( Pt 3):947-51. [PubMed:8921004 ]
  3. Davis MD, Kaufman S: Products of the tyrosine-dependent oxidation of tetrahydrobiopterin by rat liver phenylalanine hydroxylase. Arch Biochem Biophys. 1993 Jul;304(1):9-16. [PubMed:8323303 ]
  4. Rebrin I, Bailey SW, Boerth SR, Ardell MD, Ayling JE: Catalytic characterization of 4a-hydroxytetrahydropterin dehydratase. Biochemistry. 1995 May 2;34(17):5801-10. [PubMed:7727440 ]

Enzymes

Enzyme Details
1. Tyrosine 3-monooxygenase
General function:
Involved in monooxygenase activity
Specific function:
Plays an important role in the physiology of adrenergic neurons.
Gene Name:
TH
Uniprot ID:
P07101
Molecular weight:
55611.26
Reactions
L-Tyrosine + Tetrahydrobiopterin + Oxygen → L-Dopa + 4a-Hydroxytetrahydrobiopterindetails
Enzyme Details
2. Phenylalanine-4-hydroxylase
General function:
Involved in amino acid binding
Specific function:
Not Available
Gene Name:
PAH
Uniprot ID:
P00439
Molecular weight:
51861.565
Reactions
L-Phenylalanine + Tetrahydrobiopterin + Oxygen → L-Tyrosine + 4a-Hydroxytetrahydrobiopterindetails
Enzyme Details
3. Tryptophan 5-hydroxylase 1
General function:
Involved in amino acid binding
Specific function:
Not Available
Gene Name:
TPH1
Uniprot ID:
P17752
Molecular weight:
50984.725
Reactions
L-Tryptophan + Tetrahydrobiopterin + Oxygen → 5-Hydroxy-L-tryptophan + 4a-Hydroxytetrahydrobiopterindetails
Enzyme Details
4. Tryptophan 5-hydroxylase 2
General function:
Involved in amino acid binding
Specific function:
Not Available
Gene Name:
TPH2
Uniprot ID:
Q8IWU9
Molecular weight:
56056.295
Reactions
L-Tryptophan + Tetrahydrobiopterin + Oxygen → 5-Hydroxy-L-tryptophan + 4a-Hydroxytetrahydrobiopterindetails
Enzyme Details
5. Pterin-4-alpha-carbinolamine dehydratase
General function:
Involved in 4-alpha-hydroxytetrahydrobiopterin dehydratase activity
Specific function:
Involved in tetrahydrobiopterin biosynthesis. Seems to both prevent the formation of 7-pterins and accelerate the formation of quinonoid-BH2. Coactivator for HNF1A-dependent transcription. Regulates the dimerization of homeodomain protein HNF1A and enhances its transcriptional activity.
Gene Name:
PCBD1
Uniprot ID:
P61457
Molecular weight:
11999.515
Reactions
4a-Hydroxytetrahydrobiopterin → 4a-Carbinolamine tetrahydrobiopterin + Waterdetails
Enzyme Details
6. Pterin-4-alpha-carbinolamine dehydratase 2
General function:
Involved in 4-alpha-hydroxytetrahydrobiopterin dehydratase activity
Specific function:
Involved in tetrahydrobiopterin biosynthesis. Seems to both prevent the formation of 7-pterins and accelerate the formation of quinonoid-BH2 (By similarity). Regulates the dimerization of homeodomain protein HNF-1-alpha and enhances its transcriptional activity.
Gene Name:
PCBD2
Uniprot ID:
Q9H0N5
Molecular weight:
14365.325
Reactions
4a-Hydroxytetrahydrobiopterin → 4a-Carbinolamine tetrahydrobiopterin + Waterdetails