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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:00:38 UTC
Update Date2022-03-07 03:17:44 UTC
HMDB IDHMDB0060410
Secondary Accession Numbers
  • HMDB60410
Metabolite Identification
Common Name6-Carboxy-5,6,7,8-tetrahydropterin
Description6-Carboxy-5,6,7,8-tetrahydropterin belongs to the class of organic compounds known as pterin carboxylates. These are heterocyclic aromatic compounds containing a pterin moiety, in which one ring is substituted by one or more carboxylic acid groups. Pterin is a heterocyclic compound composed of a pteridine ring system (made up of a pyrazine fused to a pyrimidine), with a keto group and an amino group at the 2- and 4- positions, respectively. 6-Carboxy-5,6,7,8-tetrahydropterin is a strong basic compound (based on its pKa). 6-Carboxy-5,6,7,8-tetrahydropterin exists in all living organisms, ranging from bacteria to humans. These are heterocyclic aromatic compounds containing a pterin moeity, in which one ring is substituted by one or more carboxylic acid groups.
Structure
Data?1563866056
Synonyms
ValueSource
6-CarboxytetrahydropterinKegg
Chemical FormulaC7H9N5O3
Average Molecular Weight211.1781
Monoisotopic Molecular Weight211.070539179
IUPAC Name2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid
Traditional Name2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid
CAS Registry NumberNot Available
SMILES
NC1=NC2=C(NC(CN2)C(O)=O)C(=O)N1
InChI Identifier
InChI=1S/C7H9N5O3/c8-7-11-4-3(5(13)12-7)10-2(1-9-4)6(14)15/h2,10H,1H2,(H,14,15)(H4,8,9,11,12,13)
InChI KeyQSIYONWVWDSRRO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pterin carboxylates. These are heterocyclic aromatic compounds containing a pterin moiety, in which one ring is substituted by one or more carboxylic acid groups. Pterin is a heterocyclic compound composed of a pteridine ring system (made up of a pyrazine fused to a pyrimidine), with a keto group and an amino group at the 2- and 4- positions, respectively.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassPterins and derivatives
Direct ParentPterin carboxylates
Alternative Parents
Substituents
  • Pterin-6-carboxylate
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Aminopyrimidine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Pyrimidine
  • Heteroaromatic compound
  • Vinylogous amide
  • Amino acid or derivatives
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Secondary amine
  • Organonitrogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

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
Water Solubility2.75 g/LALOGPS
logP-1.9ALOGPS
logP-3ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)3.67ChemAxon
pKa (Strongest Basic)4.84ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area128.84 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity58.12 m³·mol⁻¹ChemAxon
Polarizability19 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
DarkChem[M+H]+148.59731661259
DarkChem[M-H]-143.10231661259
DeepCCS[M+H]+143.65130932474
DeepCCS[M-H]-141.29330932474
DeepCCS[M-2H]-176.05830932474
DeepCCS[M+Na]+151.62830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
6-Carboxy-5,6,7,8-tetrahydropterinNC1=NC2=C(NC(CN2)C(O)=O)C(=O)N13644.2Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterinNC1=NC2=C(NC(CN2)C(O)=O)C(=O)N12374.3Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterinNC1=NC2=C(NC(CN2)C(O)=O)C(=O)N12743.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #1C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N)=N22437.1Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #2C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]12554.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #3C[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NCC1C(=O)O2356.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #4C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)[NH]C2=O2410.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #5C[Si](C)(C)N1C(N)=NC2=C(NC(C(=O)O)CN2)C1=O2519.1Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #1C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)[NH]12443.1Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #1C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)[NH]12297.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #1C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)[NH]15044.4Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #10C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)[NH]C2=O2263.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #10C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)[NH]C2=O2377.2Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #10C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)[NH]C2=O3531.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #11C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C)C2=O2414.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #11C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C)C2=O2401.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #11C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C)C2=O4137.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #2C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N22344.8Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #2C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N22299.6Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #2C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N24046.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #3C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N22471.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #3C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N22247.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #3C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N24197.7Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #4C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C2296.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #4C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C2277.7Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #4C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C3626.2Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #5C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C2501.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #5C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C2443.6Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #5C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C5050.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #6C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C2528.6Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #6C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C2435.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #6C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C4933.5Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #7C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN22403.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #7C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN22362.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #7C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN23881.7Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #8C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)[NH]12424.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #8C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)[NH]12441.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #8C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)[NH]14733.5Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #9C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)NCC1C(=O)O2386.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #9C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)NCC1C(=O)O2338.1Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #9C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)NCC1C(=O)O3787.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #1C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N22420.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #1C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N22406.5Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #1C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N24682.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #10C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O2385.8Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #10C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O2546.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #10C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O4465.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #11C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)CN22455.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #11C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)CN22397.0Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #11C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)CN23560.2Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #12C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C2427.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #12C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C2550.5Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #12C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C4311.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #13C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN2[Si](C)(C)C2320.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #13C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN2[Si](C)(C)C2408.3Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #13C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN2[Si](C)(C)C3383.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #14C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)N([Si](C)(C)C)C2=O2363.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #14C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)N([Si](C)(C)C)C2=O2420.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #14C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)N([Si](C)(C)C)C2=O3486.5Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #2C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)N1[Si](C)(C)C2441.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #2C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)N1[Si](C)(C)C2397.0Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #2C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)N1[Si](C)(C)C4630.8Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #3C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN22306.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #3C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN22333.3Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #3C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN23589.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #4C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C)C(=O)[NH]12358.1Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #4C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C)C(=O)[NH]12440.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #4C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C)C(=O)[NH]14525.0Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #5C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N22393.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #5C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N22398.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #5C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N23853.0Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #6C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C2209.6Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #6C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C2348.5Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #6C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C3323.8Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #7C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C2364.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #7C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C2322.0Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #7C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C3518.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #8C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C2505.3Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #8C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C2543.0Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #8C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C4624.4Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #9C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)NCC1C(=O)O2400.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #9C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)NCC1C(=O)O2456.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #9C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)NCC1C(=O)O3517.2Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #1C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N22381.9Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #1C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N22544.0Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #1C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N24279.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #10C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O2356.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #10C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O2559.2Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #10C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O3091.5Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #11C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)CN2[Si](C)(C)C2432.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #11C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)CN2[Si](C)(C)C2490.5Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #11C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)CN2[Si](C)(C)C3155.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #2C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N22482.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #2C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N22515.5Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #2C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N24183.7Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #3C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2377.1Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #3C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2446.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #3C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C3208.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN22412.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN22425.2Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN23309.2Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #5C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C2424.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #5C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C2510.1Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #5C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C4103.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #6C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C2323.1Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #6C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C2382.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #6C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C3133.4Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #7C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C2356.9Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #7C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C2415.2Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #7C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C3307.7Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #8C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)NCC1C(=O)O2512.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #8C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)NCC1C(=O)O2547.1Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #8C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O)NCC1C(=O)O3241.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #9C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2463.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #9C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2646.7Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #9C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O4013.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #1C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N22499.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #1C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N22640.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #1C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N23804.0Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #2C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2395.6Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #2C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2540.7Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #2C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2892.2Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #3C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2516.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #3C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2557.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #3C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2988.4Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C2467.1Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C2477.5Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #4C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C2945.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #5C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2512.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #5C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2650.1Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #5C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)C2=O2936.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TMS,isomer #1C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2556.6Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TMS,isomer #1C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2639.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TMS,isomer #1C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)N([Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N2)N1[Si](C)(C)C2731.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N)=N22703.3Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]12781.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NCC1C(=O)O2666.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)[NH]C2=O2662.6Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(NC(C(=O)O)CN2)C1=O2744.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2)C(=O)[NH]12901.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2)C(=O)[NH]12749.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2)C(=O)[NH]15025.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C(C)(C)C)C2=C1N=C(N)[NH]C2=O2785.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C(C)(C)C)C2=C1N=C(N)[NH]C2=O2805.6Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C(C)(C)C)C2=C1N=C(N)[NH]C2=O3627.8Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O2904.8Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O2841.7Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O4092.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N22792.9Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N22748.0Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N24054.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N22919.8Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N22700.6Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N24080.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C2772.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C2735.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C3646.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C2903.9Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C2890.7Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C5037.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C(C)(C)C2978.5Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C(C)(C)C2880.6Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C(C)(C)C4754.4Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O)CN22871.9Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O)CN22796.9Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O)CN23914.8Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]12841.6Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]12888.7Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]14801.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)NCC1C(=O)O2914.6Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)NCC1C(=O)O2813.3Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)NCC1C(=O)O3747.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N23026.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N23024.6Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N24664.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O3027.3Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O3149.6Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O4525.5Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #11CC(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)C(C(=O)O)CN23128.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #11CC(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)C(C(=O)O)CN23097.1Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #11CC(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)C(C(=O)O)CN23627.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C3135.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C3157.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C4309.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O)CN2[Si](C)(C)C(C)(C)C2998.1Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O)CN2[Si](C)(C)C(C)(C)C3079.7Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O)CN2[Si](C)(C)C(C)(C)C3570.0Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C(C)(C)C)C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O3084.9Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C(C)(C)C)C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O3104.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C(C)(C)C)C2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O3587.5Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2)C(=O)N1[Si](C)(C)C(C)(C)C3121.6Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2)C(=O)N1[Si](C)(C)C(C)(C)C3023.2Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2)C(=O)N1[Si](C)(C)C(C)(C)C4578.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)CN22985.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)CN23015.9Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)CN23713.8Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]12987.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]13051.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]14624.2Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N23066.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N23006.3Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N23868.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C2866.3Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C3023.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C3461.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C3036.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C3015.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C3567.2Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3136.9Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3162.3Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4486.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)NCC1C(=O)O3046.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)NCC1C(=O)O3130.2Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]C2=O)NCC1C(=O)O3602.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N23172.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N23293.2Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N24366.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([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=O3196.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([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=O3406.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([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=O3376.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #11CC(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)C(C(=O)O)CN2[Si](C)(C)C(C)(C)C3282.3Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #11CC(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)C(C(=O)O)CN2[Si](C)(C)C(C)(C)C3351.7Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #11CC(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)C(C(=O)O)CN2[Si](C)(C)C(C)(C)C3413.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=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)=N23285.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=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)=N23287.2Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=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)=N24139.9Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C3141.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C3297.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C3433.0Standard polar33892256
6-Carboxy-5,6,7,8-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)C(C(=O)O[Si](C)(C)C(C)(C)C)CN23226.3Semi standard non polar33892256
6-Carboxy-5,6,7,8-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)C(C(=O)O[Si](C)(C)C(C)(C)C)CN23275.3Standard non polar33892256
6-Carboxy-5,6,7,8-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)C(C(=O)O[Si](C)(C)C(C)(C)C)CN23497.0Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C3280.1Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C3282.6Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)C(=O)N1[Si](C)(C)C(C)(C)C4125.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C3092.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C3261.9Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C3433.8Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C3199.9Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C3279.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2)N1[Si](C)(C)C(C)(C)C3515.8Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N1C2=C(N=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=O)NCC1C(=O)O3327.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N1C2=C(N=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=O)NCC1C(=O)O3407.6Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N1C2=C(N=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=O)NCC1C(=O)O3446.1Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=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=O3321.0Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=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=O3400.3Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=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=O4041.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=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)=N23456.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=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)=N23532.0Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=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)=N23888.6Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C3292.7Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C3552.8Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=O)[NH]C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N2)N1[Si](C)(C)C(C)(C)C3277.3Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=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)=N2)N1[Si](C)(C)C(C)(C)C3403.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=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)=N2)N1[Si](C)(C)C(C)(C)C3535.1Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=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)=N2)N1[Si](C)(C)C(C)(C)C3339.7Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,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)C(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C3376.4Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,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)C(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C3498.0Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,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)C(C(=O)O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C3339.4Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([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=O3511.8Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([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=O3647.4Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([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=O3297.8Standard polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=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)=N2)N1[Si](C)(C)C(C)(C)C3592.2Semi standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=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)=N2)N1[Si](C)(C)C(C)(C)C3791.9Standard non polar33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(C(=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)=N2)N1[Si](C)(C)C(C)(C)C3234.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-1900000000-dc3fbed489eeb7a97c422017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin GC-MS (1 TMS) - 70eV, Positivesplash10-014i-2900000000-adc7542017f99dcccce62017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 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 - 6-Carboxy-5,6,7,8-tetrahydropterin 10V, Positive-QTOFsplash10-03dl-0980000000-77c7a65000d61e0f00972015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 20V, Positive-QTOFsplash10-02tc-0920000000-51f8f3890c49ebfcaf172015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 40V, Positive-QTOFsplash10-00gi-4900000000-36d0bbd2f637a9803ecc2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 10V, Negative-QTOFsplash10-03di-0590000000-cf2674cb4f12eea116762015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 20V, Negative-QTOFsplash10-0006-2910000000-e531b1f110f3982994832015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 40V, Negative-QTOFsplash10-0f6x-9200000000-89df65f3f9202446a0582015-09-15Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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 IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC20239
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12463319
PDB IDNot Available
ChEBI ID61126
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. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

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
Reactions
Dihydroneopterin triphosphate + Water → 6-Carboxy-5,6,7,8-tetrahydropterin + Acetaldehyde + Triphosphatedetails