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Showing metabocard for Tetrahydropterin (HMDB0258903)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 20:44:14 UTC
Update Date2022-11-23 22:29:19 UTC
HMDB IDHMDB0258903
Secondary Accession NumbersNone
Metabolite Identification
Common NameTetrahydropterin
Description2-imino-1,2,5,6,7,8-hexahydropteridin-4-ol belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. Based on a literature review very few articles have been published on 2-imino-1,2,5,6,7,8-hexahydropteridin-4-ol. This compound has been identified in human blood as reported by (PMID: 31557052 ). Tetrahydropterin is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Tetrahydropterin is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0258903 (Tetrahydropterin)


  Mrv1652309112122442D          

 12 13  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0258903 (Tetrahydropterin)

HMDB0258903
     RDKit          3D
tetrahydropterin
 21 22  0  0  0  0  0  0  0  0999 V2000
    3.7155   -0.6497    0.2706 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790   -0.2434    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3252   -0.9828    0.4692 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0486   -0.6104    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    0.5983   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219    1.3158   -0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346    2.4053   -1.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974    0.9342   -0.5999 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082    0.9886   -0.6088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6487    0.4129    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4365   -0.9365    0.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723   -1.3605    0.6926 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508   -0.7177    1.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3741   -0.8819   -0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0232    1.4994   -0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6816    1.7594   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0541    1.1321    0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4653    0.3293   -0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8559   -0.9515    1.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9964   -1.7366    0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844   -2.3043    1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  8  2  1  0
 12  4  1  0
  1 13  1  0
  1 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 12 21  1  0
M  END
Download

3D SDF for HMDB0258903 (Tetrahydropterin)


  Mrv1652309112122442D          

 12 13  0  0  0  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0258903

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC2=C(NCCN2)C(=O)N1

> <INCHI_IDENTIFIER>
InChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h8H,1-2H2,(H4,7,9,10,11,12)

> <INCHI_KEY>
BOEUHAUGJSOEDZ-UHFFFAOYSA-N

> <FORMULA>
C6H9N5O

> <MOLECULAR_WEIGHT>
167.172

> <EXACT_MASS>
167.08070993

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
15.98318340223125

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3,4,5,6,7,8-hexahydropteridin-4-one

> <ALOGPS_LOGP>
-1.61

> <JCHEM_LOGP>
-1.4770315786666666

> <ALOGPS_LOGS>
-1.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.771787891241647

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.821279237980548

> <JCHEM_PKA_STRONGEST_BASIC>
2.2243282101523127

> <JCHEM_POLAR_SURFACE_AREA>
91.53999999999999

> <JCHEM_REFRACTIVITY>
52.2896

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.18e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-5,6,7,8-tetrahydro-3H-pteridin-4-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0258903 (Tetrahydropterin)

HMDB0258903
     RDKit          3D
tetrahydropterin
 21 22  0  0  0  0  0  0  0  0999 V2000
    3.7155   -0.6497    0.2706 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3790   -0.2434    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3252   -0.9828    0.4692 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0486   -0.6104    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    0.5983   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219    1.3158   -0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346    2.4053   -1.4081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974    0.9342   -0.5999 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5082    0.9886   -0.6088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6487    0.4129    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4365   -0.9365    0.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0723   -1.3605    0.6926 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0508   -0.7177    1.2461 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3741   -0.8819   -0.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0232    1.4994   -0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6816    1.7594   -1.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0541    1.1321    0.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4653    0.3293   -0.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8559   -0.9515    1.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9964   -1.7366    0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844   -2.3043    1.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  8  2  1  0
 12  4  1  0
  1 13  1  0
  1 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 12 21  1  0
M  END
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PDB for HMDB0258903 (Tetrahydropterin)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       0.000  -0.000   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       2.667  -3.080   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       5.335  -3.080   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10    4                                                       
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   26    0
END
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3D PDB for HMDB0258903 (Tetrahydropterin)

COMPND    HMDB0258903
HETATM    1  N1  UNL     1       3.716  -0.650   0.271  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.379  -0.243   0.053  1.00  0.00           C  
HETATM    3  N2  UNL     1       1.325  -0.983   0.469  1.00  0.00           N  
HETATM    4  C2  UNL     1       0.049  -0.610   0.270  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.167   0.598  -0.400  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.922   1.316  -0.804  1.00  0.00           C  
HETATM    7  O1  UNL     1       0.735   2.405  -1.408  1.00  0.00           O  
HETATM    8  N3  UNL     1       2.197   0.934  -0.600  1.00  0.00           N  
HETATM    9  N4  UNL     1      -1.508   0.989  -0.609  1.00  0.00           N  
HETATM   10  C5  UNL     1      -2.649   0.413   0.039  1.00  0.00           C  
HETATM   11  C6  UNL     1      -2.436  -0.936   0.613  1.00  0.00           C  
HETATM   12  N5  UNL     1      -1.072  -1.360   0.693  1.00  0.00           N  
HETATM   13  H1  UNL     1       4.051  -0.718   1.246  1.00  0.00           H  
HETATM   14  H2  UNL     1       4.374  -0.882  -0.491  1.00  0.00           H  
HETATM   15  H3  UNL     1       3.023   1.499  -0.918  1.00  0.00           H  
HETATM   16  H4  UNL     1      -1.682   1.759  -1.291  1.00  0.00           H  
HETATM   17  H5  UNL     1      -3.054   1.132   0.807  1.00  0.00           H  
HETATM   18  H6  UNL     1      -3.465   0.329  -0.736  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.856  -0.952   1.645  1.00  0.00           H  
HETATM   20  H8  UNL     1      -2.996  -1.737   0.054  1.00  0.00           H  
HETATM   21  H9  UNL     1      -0.884  -2.304   1.097  1.00  0.00           H  
CONECT    1    2   13   14
CONECT    2    3    3    8
CONECT    3    4
CONECT    4    5    5   12
CONECT    5    6    9
CONECT    6    7    7    8
CONECT    8   15
CONECT    9   10   16
CONECT   10   11   17   18
CONECT   11   12   19   20
CONECT   12   21
END
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SMILES for HMDB0258903 (Tetrahydropterin)

NC1=NC2=C(NCCN2)C(=O)N1
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INCHI for HMDB0258903 (Tetrahydropterin)

InChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h8H,1-2H2,(H4,7,9,10,11,12)
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC6H9N5O
Average Molecular Weight167.172
Monoisotopic Molecular Weight167.08070993
IUPAC Name2-amino-3,4,5,6,7,8-hexahydropteridin-4-one
Traditional Name2-amino-5,6,7,8-tetrahydro-3H-pteridin-4-one
CAS Registry NumberNot Available
SMILES
NC1=NC2=C(NCCN2)C(=O)N1
InChI Identifier
InChI=1S/C6H9N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h8H,1-2H2,(H4,7,9,10,11,12)
InChI KeyBOEUHAUGJSOEDZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassPterins and derivatives
Direct ParentPterins and derivatives
Alternative Parents
Substituents
  • Pterin
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Pyrimidine
  • Vinylogous amide
  • Heteroaromatic compound
  • Secondary amine
  • Azacycle
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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
logP-1.6ALOGPS
logP-1.5ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)7.82ChemAxon
pKa (Strongest Basic)2.22ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area91.54 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity52.29 m³·mol⁻¹ChemAxon
Polarizability15.98 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+134.01530932474
DeepCCS[M-H]-130.32330932474
DeepCCS[M-2H]-167.67930932474
DeepCCS[M+Na]+142.99630932474
AllCCS[M+H]+137.532859911
AllCCS[M+H-H2O]+133.132859911
AllCCS[M+NH4]+141.632859911
AllCCS[M+Na]+142.832859911
AllCCS[M-H]-133.332859911
AllCCS[M+Na-2H]-134.132859911
AllCCS[M+HCOO]-135.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
tetrahydropterinNC1=NC2=C(NCCN2)C(=O)N13225.3Standard polar33892256
tetrahydropterinNC1=NC2=C(NCCN2)C(=O)N11953.3Standard non polar33892256
tetrahydropterinNC1=NC2=C(NCCN2)C(=O)N12208.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
tetrahydropterin,1TMS,isomer #1C[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)[NH]12210.2Semi standard non polar33892256
tetrahydropterin,1TMS,isomer #1C[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)[NH]12122.9Standard non polar33892256
tetrahydropterin,1TMS,isomer #1C[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)[NH]14196.8Standard polar33892256
tetrahydropterin,1TMS,isomer #2C[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N)=N22085.0Semi standard non polar33892256
tetrahydropterin,1TMS,isomer #2C[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N)=N22202.5Standard non polar33892256
tetrahydropterin,1TMS,isomer #2C[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N)=N23245.5Standard polar33892256
tetrahydropterin,1TMS,isomer #3C[Si](C)(C)N1CCNC2=C1N=C(N)[NH]C2=O2109.1Semi standard non polar33892256
tetrahydropterin,1TMS,isomer #3C[Si](C)(C)N1CCNC2=C1N=C(N)[NH]C2=O2087.7Standard non polar33892256
tetrahydropterin,1TMS,isomer #3C[Si](C)(C)N1CCNC2=C1N=C(N)[NH]C2=O3495.0Standard polar33892256
tetrahydropterin,1TMS,isomer #4C[Si](C)(C)N1C(N)=NC2=C(NCCN2)C1=O2174.6Semi standard non polar33892256
tetrahydropterin,1TMS,isomer #4C[Si](C)(C)N1C(N)=NC2=C(NCCN2)C1=O2074.2Standard non polar33892256
tetrahydropterin,1TMS,isomer #4C[Si](C)(C)N1C(N)=NC2=C(NCCN2)C1=O3813.7Standard polar33892256
tetrahydropterin,2TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)[NH]1)[Si](C)(C)C2177.7Semi standard non polar33892256
tetrahydropterin,2TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)[NH]1)[Si](C)(C)C2188.9Standard non polar33892256
tetrahydropterin,2TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)[NH]1)[Si](C)(C)C4241.6Standard polar33892256
tetrahydropterin,2TMS,isomer #2C[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C2193.8Semi standard non polar33892256
tetrahydropterin,2TMS,isomer #2C[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C2184.7Standard non polar33892256
tetrahydropterin,2TMS,isomer #2C[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C4113.5Standard polar33892256
tetrahydropterin,2TMS,isomer #3C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)CCN22102.8Semi standard non polar33892256
tetrahydropterin,2TMS,isomer #3C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)CCN22272.4Standard non polar33892256
tetrahydropterin,2TMS,isomer #3C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)CCN23243.0Standard polar33892256
tetrahydropterin,2TMS,isomer #4C[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C)C(=O)[NH]12130.9Semi standard non polar33892256
tetrahydropterin,2TMS,isomer #4C[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C)C(=O)[NH]12237.4Standard non polar33892256
tetrahydropterin,2TMS,isomer #4C[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C)C(=O)[NH]13938.4Standard polar33892256
tetrahydropterin,2TMS,isomer #5C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N)[NH]C2=O1983.8Semi standard non polar33892256
tetrahydropterin,2TMS,isomer #5C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N)[NH]C2=O2272.4Standard non polar33892256
tetrahydropterin,2TMS,isomer #5C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N)[NH]C2=O2923.4Standard polar33892256
tetrahydropterin,2TMS,isomer #6C[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C)C(N)=N22113.7Semi standard non polar33892256
tetrahydropterin,2TMS,isomer #6C[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C)C(N)=N22168.9Standard non polar33892256
tetrahydropterin,2TMS,isomer #6C[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C)C(N)=N23100.4Standard polar33892256
tetrahydropterin,2TMS,isomer #7C[Si](C)(C)N1CCNC2=C1N=C(N)N([Si](C)(C)C)C2=O2116.7Semi standard non polar33892256
tetrahydropterin,2TMS,isomer #7C[Si](C)(C)N1CCNC2=C1N=C(N)N([Si](C)(C)C)C2=O2188.6Standard non polar33892256
tetrahydropterin,2TMS,isomer #7C[Si](C)(C)N1CCNC2=C1N=C(N)N([Si](C)(C)C)C2=O3343.3Standard polar33892256
tetrahydropterin,3TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C2184.8Semi standard non polar33892256
tetrahydropterin,3TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C2276.2Standard non polar33892256
tetrahydropterin,3TMS,isomer #1C[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C3943.8Standard polar33892256
tetrahydropterin,3TMS,isomer #2C[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N22105.1Semi standard non polar33892256
tetrahydropterin,3TMS,isomer #2C[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N22292.5Standard non polar33892256
tetrahydropterin,3TMS,isomer #2C[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N22945.8Standard polar33892256
tetrahydropterin,3TMS,isomer #3C[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O2092.2Semi standard non polar33892256
tetrahydropterin,3TMS,isomer #3C[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O2296.3Standard non polar33892256
tetrahydropterin,3TMS,isomer #3C[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O3784.2Standard polar33892256
tetrahydropterin,3TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)CCN22132.9Semi standard non polar33892256
tetrahydropterin,3TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)CCN22245.9Standard non polar33892256
tetrahydropterin,3TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)CCN23019.7Standard polar33892256
tetrahydropterin,3TMS,isomer #5C[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C2142.3Semi standard non polar33892256
tetrahydropterin,3TMS,isomer #5C[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C2321.4Standard non polar33892256
tetrahydropterin,3TMS,isomer #5C[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C3630.1Standard polar33892256
tetrahydropterin,3TMS,isomer #6C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)CCN2[Si](C)(C)C2059.8Semi standard non polar33892256
tetrahydropterin,3TMS,isomer #6C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)CCN2[Si](C)(C)C2297.5Standard non polar33892256
tetrahydropterin,3TMS,isomer #6C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)CCN2[Si](C)(C)C2841.5Standard polar33892256
tetrahydropterin,3TMS,isomer #7C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N)N([Si](C)(C)C)C2=O2075.5Semi standard non polar33892256
tetrahydropterin,3TMS,isomer #7C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N)N([Si](C)(C)C)C2=O2263.1Standard non polar33892256
tetrahydropterin,3TMS,isomer #7C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N)N([Si](C)(C)C)C2=O2895.4Standard polar33892256
tetrahydropterin,4TMS,isomer #1C[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N22203.1Semi standard non polar33892256
tetrahydropterin,4TMS,isomer #1C[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N22343.2Standard non polar33892256
tetrahydropterin,4TMS,isomer #1C[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N22701.5Standard polar33892256
tetrahydropterin,4TMS,isomer #2C[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2182.6Semi standard non polar33892256
tetrahydropterin,4TMS,isomer #2C[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2397.1Standard non polar33892256
tetrahydropterin,4TMS,isomer #2C[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O3426.3Standard polar33892256
tetrahydropterin,4TMS,isomer #3C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O2108.8Semi standard non polar33892256
tetrahydropterin,4TMS,isomer #3C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O2395.6Standard non polar33892256
tetrahydropterin,4TMS,isomer #3C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O2604.2Standard polar33892256
tetrahydropterin,4TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)CCN2[Si](C)(C)C2160.8Semi standard non polar33892256
tetrahydropterin,4TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)CCN2[Si](C)(C)C2323.8Standard non polar33892256
tetrahydropterin,4TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)CCN2[Si](C)(C)C2647.9Standard polar33892256
tetrahydropterin,5TMS,isomer #1C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2253.2Semi standard non polar33892256
tetrahydropterin,5TMS,isomer #1C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2464.7Standard non polar33892256
tetrahydropterin,5TMS,isomer #1C[Si](C)(C)N1CCN([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2474.2Standard polar33892256
tetrahydropterin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)[NH]12440.0Semi standard non polar33892256
tetrahydropterin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)[NH]12356.8Standard non polar33892256
tetrahydropterin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)[NH]14366.4Standard polar33892256
tetrahydropterin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N)=N22307.2Semi standard non polar33892256
tetrahydropterin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N)=N22406.1Standard non polar33892256
tetrahydropterin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N)=N23406.1Standard polar33892256
tetrahydropterin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N)[NH]C2=O2370.1Semi standard non polar33892256
tetrahydropterin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N)[NH]C2=O2323.3Standard non polar33892256
tetrahydropterin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N)[NH]C2=O3681.1Standard polar33892256
tetrahydropterin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(NCCN2)C1=O2387.5Semi standard non polar33892256
tetrahydropterin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(NCCN2)C1=O2322.5Standard non polar33892256
tetrahydropterin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(NCCN2)C1=O3849.9Standard polar33892256
tetrahydropterin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C2583.3Semi standard non polar33892256
tetrahydropterin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C2641.2Standard non polar33892256
tetrahydropterin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C4358.0Standard polar33892256
tetrahydropterin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C(C)(C)C2596.2Semi standard non polar33892256
tetrahydropterin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C(C)(C)C2635.9Standard non polar33892256
tetrahydropterin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C(C)(C)C4106.4Standard polar33892256
tetrahydropterin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)CCN22524.1Semi standard non polar33892256
tetrahydropterin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)CCN22699.2Standard non polar33892256
tetrahydropterin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)CCN23378.8Standard polar33892256
tetrahydropterin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C(C)(C)C)C(=O)[NH]12550.4Semi standard non polar33892256
tetrahydropterin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C(C)(C)C)C(=O)[NH]12675.6Standard non polar33892256
tetrahydropterin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C(C)(C)C)C(=O)[NH]14105.1Standard polar33892256
tetrahydropterin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N)[NH]C2=O2439.5Semi standard non polar33892256
tetrahydropterin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N)[NH]C2=O2695.7Standard non polar33892256
tetrahydropterin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N)[NH]C2=O3071.7Standard polar33892256
tetrahydropterin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N22548.7Semi standard non polar33892256
tetrahydropterin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N22653.2Standard non polar33892256
tetrahydropterin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N23160.7Standard polar33892256
tetrahydropterin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O2577.0Semi standard non polar33892256
tetrahydropterin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O2630.4Standard non polar33892256
tetrahydropterin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O3403.3Standard polar33892256
tetrahydropterin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2787.6Semi standard non polar33892256
tetrahydropterin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2900.8Standard non polar33892256
tetrahydropterin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C1=NC2=C(NCCN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4001.3Standard polar33892256
tetrahydropterin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N22689.4Semi standard non polar33892256
tetrahydropterin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N22977.8Standard non polar33892256
tetrahydropterin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N23112.0Standard polar33892256
tetrahydropterin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O2713.9Semi standard non polar33892256
tetrahydropterin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O2913.4Standard non polar33892256
tetrahydropterin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O3975.1Standard polar33892256
tetrahydropterin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)CCN22765.1Semi standard non polar33892256
tetrahydropterin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)CCN22951.2Standard non polar33892256
tetrahydropterin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)CCN23163.9Standard polar33892256
tetrahydropterin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C2783.1Semi standard non polar33892256
tetrahydropterin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C2920.4Standard non polar33892256
tetrahydropterin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC2=C(NCCN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C3748.4Standard polar33892256
tetrahydropterin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C2663.5Semi standard non polar33892256
tetrahydropterin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C2949.9Standard non polar33892256
tetrahydropterin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C3101.8Standard polar33892256
tetrahydropterin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O2730.2Semi standard non polar33892256
tetrahydropterin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O2955.3Standard non polar33892256
tetrahydropterin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O3078.8Standard polar33892256
tetrahydropterin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N22960.8Semi standard non polar33892256
tetrahydropterin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N23249.8Standard non polar33892256
tetrahydropterin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1CCNC2=C1C(=O)N([Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N23004.0Standard polar33892256
tetrahydropterin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O2988.8Semi standard non polar33892256
tetrahydropterin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O3178.3Standard non polar33892256
tetrahydropterin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1CCNC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O3541.5Standard polar33892256
tetrahydropterin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O2849.0Semi standard non polar33892256
tetrahydropterin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O3280.8Standard non polar33892256
tetrahydropterin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O2966.9Standard polar33892256
tetrahydropterin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C2946.9Semi standard non polar33892256
tetrahydropterin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C3223.3Standard non polar33892256
tetrahydropterin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C2993.2Standard polar33892256
tetrahydropterin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O3162.5Semi standard non polar33892256
tetrahydropterin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O3520.1Standard non polar33892256
tetrahydropterin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1CCN([Si](C)(C)C(C)(C)C)C2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2=O2915.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydropterin GC-MS (Non-derivatized) - 70eV, Positivesplash10-00m1-3900000000-346b99a82b900d06c5a92021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Tetrahydropterin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID108934
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Enzymes

Enzyme Details
1. 6-pyruvoyl tetrahydrobiopterin synthase
General function:
Involved in 6-pyruvoyltetrahydropterin synthase activity
Specific function:
Involved in the biosynthesis of tetrahydrobiopterin, an essential cofactor of aromatic amino acid hydroxylases. Catalyzes the transformation of 7,8-dihydroneopterin triphosphate into 6-pyruvoyl tetrahydropterin.
Gene Name:
PTS
Uniprot ID:
Q03393
Molecular weight:
16385.63