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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-05-17 01:00:38 UTC

Update Date

2022-03-07 03:17:44 UTC

HMDB ID

HMDB0060410

Secondary Accession Numbers

HMDB60410

Metabolite Identification

Common Name

6-Carboxy-5,6,7,8-tetrahydropterin

Description

6-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

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

 
  Mrv0541 07091216312D          
 
 15 16  0  0  0  0            999 V2000
    7.9747  -10.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9781   -9.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6892  -11.1611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2635  -11.1577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6961   -9.5088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2635   -9.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4073  -10.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5456  -10.7420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4106   -9.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5456   -9.9175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2635   -8.6774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8310  -11.1577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1149   -9.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8295   -9.9175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1115   -8.6843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0060410

> <DATABASE_NAME>
hmdb

> <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_KEY>
QSIYONWVWDSRRO-UHFFFAOYSA-N

> <FORMULA>
C7H9N5O3

> <MOLECULAR_WEIGHT>
211.1781

> <EXACT_MASS>
211.070539179

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
19.00312408400456

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid

> <ALOGPS_LOGP>
-1.87

> <JCHEM_LOGP>
-2.970613747538095

> <ALOGPS_LOGS>
-2.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.121145670762168

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6692422568404885

> <JCHEM_PKA_STRONGEST_BASIC>
4.841325540574429

> <JCHEM_POLAR_SURFACE_AREA>
128.84

> <JCHEM_REFRACTIVITY>
58.1195

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.21e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-JUL-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-JUL-12         0                                  
HETATM    1  C   UNK     0      14.886 -20.052   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.893 -18.513   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      16.220 -20.834   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0      13.559 -20.828   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0      16.233 -17.750   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      13.559 -17.743   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      17.560 -20.065   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.219 -20.052   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      17.567 -18.519   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      12.219 -18.513   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0      13.559 -16.198   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      10.885 -20.828   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      18.881 -17.750   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      20.215 -18.513   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      18.875 -16.211   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8                                                       
CONECT    5    2    9                                                       
CONECT    6    2   10   11                                                  
CONECT    7    3    9                                                       
CONECT    8    4   12   10                                                  
CONECT    9    5   13    7                                                  
CONECT   10    6    8                                                       
CONECT   11    6                                                            
CONECT   12    8                                                            
CONECT   13    9   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
MASTER        0    0    0    0    0    0    0    0   15    0   32    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
6-Carboxytetrahydropterin	Kegg

Chemical Formula

C₇H₉N₅O₃

Average Molecular Weight

211.1781

Monoisotopic Molecular Weight

211.070539179

IUPAC Name

2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridine-6-carboxylic acid

Traditional Name

2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridine-6-carboxylic acid

CAS Registry Number

Not 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 Key

QSIYONWVWDSRRO-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.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Pterin 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 Framework

Aromatic heteropolycyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:61126 )
tetrahydropterin (CHEBI:61126 )

Ontology

Not Available

Exogenous (HMDB: HMDB0060410)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

PreQ0 Metabolism (PathBank: SMP0122104)

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.75 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-3	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	3.67	ChemAxon
pKa (Strongest Basic)	4.84	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	128.84 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	58.12 m³·mol⁻¹	ChemAxon
Polarizability	19 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	148.597	31661259
DarkChem	[M-H]-	143.102	31661259
DeepCCS	[M+H]+	143.651	30932474
DeepCCS	[M-H]-	141.293	30932474
DeepCCS	[M-2H]-	176.058	30932474
DeepCCS	[M+Na]+	151.628	30932474
AllCCS	[M+H]+	147.1	32859911
AllCCS	[M+H-H2O]+	143.1	32859911
AllCCS	[M+NH4]+	150.9	32859911
AllCCS	[M+Na]+	151.9	32859911
AllCCS	[M-H]-	143.8	32859911
AllCCS	[M+Na-2H]-	144.0	32859911
AllCCS	[M+HCOO]-	144.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6-Carboxy-5,6,7,8-tetrahydropterin	NC1=NC2=C(NC(CN2)C(O)=O)C(=O)N1	3644.2	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin	NC1=NC2=C(NC(CN2)C(O)=O)C(=O)N1	2374.3	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin	NC1=NC2=C(NC(CN2)C(O)=O)C(=O)N1	2743.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #1	C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N)=N2	2437.1	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1	2554.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #3	C[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NCC1C(=O)O	2356.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #4	C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)[NH]C2=O	2410.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TMS,isomer #5	C[Si](C)(C)N1C(N)=NC2=C(NC(C(=O)O)CN2)C1=O	2519.1	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)[NH]1	2443.1	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)[NH]1	2297.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #1	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)[NH]1	5044.4	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #10	C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)[NH]C2=O	2263.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #10	C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)[NH]C2=O	2377.2	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #10	C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)[NH]C2=O	3531.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #11	C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C)C2=O	2414.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #11	C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C)C2=O	2401.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #11	C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C)C2=O	4137.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N2	2344.8	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N2	2299.6	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #2	C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N2	4046.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #3	C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N2	2471.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #3	C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N2	2247.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #3	C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N2	4197.7	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #4	C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2296.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #4	C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2277.7	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #4	C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	3626.2	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #5	C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C	2501.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #5	C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C	2443.6	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #5	C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C	5050.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C	2528.6	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C	2435.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #6	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C	4933.5	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN2	2403.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN2	2362.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #7	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN2	3881.7	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)[NH]1	2424.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)[NH]1	2441.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #8	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)[NH]1	4733.5	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #9	C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)NCC1C(=O)O	2386.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #9	C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)NCC1C(=O)O	2338.1	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TMS,isomer #9	C[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C)C2=O)NCC1C(=O)O	3787.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	2420.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	2406.5	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N([Si](C)(C)C)[Si](C)(C)C)=N2	4682.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #10	C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	2385.8	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #10	C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	2546.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #10	C[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O	4465.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)CN2	2455.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)CN2	2397.0	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #11	C[Si](C)(C)NC1=NC2=C(C(=O)N1[Si](C)(C)C)N([Si](C)(C)C)C(C(=O)O)CN2	3560.2	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2427.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	2550.5	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #12	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C)C(=O)N1[Si](C)(C)C	4311.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN2[Si](C)(C)C	2320.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN2[Si](C)(C)C	2408.3	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #13	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O)CN2[Si](C)(C)C	3383.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #14	C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)N([Si](C)(C)C)C2=O	2363.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #14	C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)N([Si](C)(C)C)C2=O	2420.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #14	C[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C)C2=C1N=C(N)N([Si](C)(C)C)C2=O	3486.5	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)N1[Si](C)(C)C	2441.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)N1[Si](C)(C)C	2397.0	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #2	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2)C(=O)N1[Si](C)(C)C	4630.8	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN2	2306.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN2	2333.3	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #3	C[Si](C)(C)NC1=NC2=C(C(=O)[NH]1)N([Si](C)(C)C)C(C(=O)O[Si](C)(C)C)CN2	3589.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C)C(=O)[NH]1	2358.1	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C)C(=O)[NH]1	2440.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #4	C[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C)CN2[Si](C)(C)C)C(=O)[NH]1	4525.0	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #5	C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N2	2393.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #5	C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N2	2398.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #5	C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(N1)C(=O)N([Si](C)(C)C)C(N)=N2	3853.0	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #6	C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2209.6	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #6	C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	2348.5	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #6	C[Si](C)(C)OC(=O)C1CN([Si](C)(C)C)C2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C	3323.8	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2364.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	2322.0	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #7	C[Si](C)(C)OC(=O)C1CNC2=C(C(=O)N([Si](C)(C)C)C(N)=N2)N1[Si](C)(C)C	3518.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #8	C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	2505.3	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #8	C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	2543.0	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #8	C[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C)[Si](C)(C)C	4624.4	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #9	C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)NCC1C(=O)O	2400.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #9	C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)NCC1C(=O)O	2456.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TMS,isomer #9	C[Si](C)(C)N1C2=C(N=C(N([Si](C)(C)C)[Si](C)(C)C)[NH]C2=O)NCC1C(=O)O	3517.2	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #1	C[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)=N2	2381.9	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #1	C[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)=N2	2544.0	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #1	C[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)=N2	4279.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #10	C[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=O	2356.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #10	C[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=O	2559.2	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #10	C[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=O	3091.5	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #11	C[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)C	2432.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #11	C[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)C	2490.5	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #11	C[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)C	3155.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #2	C[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)=N2	2482.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #2	C[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)=N2	2515.5	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #2	C[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)=N2	4183.7	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #3	C[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)C	2377.1	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #3	C[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)C	2446.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #3	C[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)C	3208.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #4	C[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	2412.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #4	C[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	2425.2	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #4	C[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	3309.2	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #5	C[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)C	2424.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #5	C[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)C	2510.1	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #5	C[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)C	4103.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #6	C[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)C	2323.1	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #6	C[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)C	2382.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #6	C[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)C	3133.4	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #7	C[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)C	2356.9	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #7	C[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)C	2415.2	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #7	C[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)C	3307.7	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #8	C[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)O	2512.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #8	C[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)O	2547.1	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #8	C[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)O	3241.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #9	C[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=O	2463.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #9	C[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=O	2646.7	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TMS,isomer #9	C[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=O	4013.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #1	C[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)=N2	2499.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #1	C[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)=N2	2640.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #1	C[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)=N2	3804.0	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #2	C[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)C	2395.6	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #2	C[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)C	2540.7	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #2	C[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)C	2892.2	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #3	C[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)C	2516.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #3	C[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)C	2557.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #3	C[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)C	2988.4	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #4	C[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)C	2467.1	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #4	C[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)C	2477.5	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #4	C[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)C	2945.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #5	C[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=O	2512.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #5	C[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=O	2650.1	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TMS,isomer #5	C[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=O	2936.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TMS,isomer #1	C[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)C	2556.6	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TMS,isomer #1	C[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)C	2639.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TMS,isomer #1	C[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)C	2731.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)[NH]C(N)=N2	2703.3	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1	2781.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)[NH]C2=O)NCC1C(=O)O	2666.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)[NH]C2=O	2662.6	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C(N)=NC2=C(NC(C(=O)O)CN2)C1=O	2744.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2)C(=O)[NH]1	2901.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2)C(=O)[NH]1	2749.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O[Si](C)(C)C(C)(C)C)CN2)C(=O)[NH]1	5025.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C(C)(C)C)C2=C1N=C(N)[NH]C2=O	2785.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C(C)(C)C)C2=C1N=C(N)[NH]C2=O	2805.6	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N1CC(C(=O)O)N([Si](C)(C)C(C)(C)C)C2=C1N=C(N)[NH]C2=O	3627.8	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	2904.8	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	2841.7	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N1CC(C(=O)O)NC2=C1N=C(N)N([Si](C)(C)C(C)(C)C)C2=O	4092.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N2	2792.9	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N2	2748.0	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1CN([Si](C)(C)C(C)(C)C)C2=C(N1)C(=O)[NH]C(N)=N2	4054.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	2919.8	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	2700.6	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(N1)C(=O)N([Si](C)(C)C(C)(C)C)C(N)=N2	4080.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	2772.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	2735.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1CNC2=C(C(=O)[NH]C(N)=N2)N1[Si](C)(C)C(C)(C)C	3646.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	2903.9	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	2890.7	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C1=NC2=C(NC(C(=O)O)CN2)C(=O)[NH]1)[Si](C)(C)C(C)(C)C	5037.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	2978.5	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	2880.6	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2)C(=O)N1[Si](C)(C)C(C)(C)C	4754.4	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #7	CC(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	2871.9	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #7	CC(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	2796.9	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #7	CC(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	3914.8	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	2841.6	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	2888.7	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC2=C(NC(C(=O)O)CN2[Si](C)(C)C(C)(C)C)C(=O)[NH]1	4801.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)NCC1C(=O)O	2914.6	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)NCC1C(=O)O	2813.3	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N1C2=C(N=C(N)N([Si](C)(C)C(C)(C)C)C2=O)NCC1C(=O)O	3747.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #1	CC(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)=N2	3026.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #1	CC(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)=N2	3024.6	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #1	CC(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)=N2	4664.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #10	CC(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=O	3027.3	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #10	CC(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=O	3149.6	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #10	CC(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=O	4525.5	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #11	CC(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	3128.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #11	CC(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	3097.1	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #11	CC(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	3627.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #12	CC(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)C	3135.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #12	CC(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)C	3157.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #12	CC(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)C	4309.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #13	CC(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)C	2998.1	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #13	CC(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)C	3079.7	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #13	CC(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)C	3570.0	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #14	CC(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=O	3084.9	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #14	CC(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=O	3104.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #14	CC(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=O	3587.5	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #2	CC(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)C	3121.6	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #2	CC(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)C	3023.2	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #2	CC(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)C	4578.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #3	CC(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	2985.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #3	CC(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	3015.9	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #3	CC(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	3713.8	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #4	CC(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]1	2987.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #4	CC(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]1	3051.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #4	CC(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]1	4624.2	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #5	CC(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)=N2	3066.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #5	CC(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)=N2	3006.3	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #5	CC(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)=N2	3868.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #6	CC(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)C	2866.3	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #6	CC(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)C	3023.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #6	CC(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)C	3461.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #7	CC(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)C	3036.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #7	CC(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)C	3015.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #7	CC(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)C	3567.2	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #8	CC(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)C	3136.9	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #8	CC(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)C	3162.3	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #8	CC(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)C	4486.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #9	CC(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)O	3046.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #9	CC(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)O	3130.2	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,3TBDMS,isomer #9	CC(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)O	3602.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #1	CC(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)=N2	3172.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #1	CC(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)=N2	3293.2	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #1	CC(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)=N2	4366.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #10	CC(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=O	3196.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #10	CC(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=O	3406.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #10	CC(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=O	3376.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #11	CC(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)C	3282.3	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #11	CC(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)C	3351.7	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #11	CC(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)C	3413.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #2	CC(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)=N2	3285.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #2	CC(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)=N2	3287.2	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #2	CC(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)=N2	4139.9	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #3	CC(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)C	3141.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #3	CC(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)C	3297.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #3	CC(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)C	3433.0	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #4	CC(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	3226.3	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #4	CC(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	3275.3	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #4	CC(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	3497.0	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #5	CC(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)C	3280.1	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #5	CC(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)C	3282.6	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #5	CC(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)C	4125.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #6	CC(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)C	3092.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #6	CC(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)C	3261.9	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #6	CC(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)C	3433.8	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #7	CC(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)C	3199.9	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #7	CC(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)C	3279.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #7	CC(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)C	3515.8	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #8	CC(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)O	3327.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #8	CC(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)O	3407.6	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #8	CC(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)O	3446.1	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #9	CC(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=O	3321.0	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #9	CC(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=O	3400.3	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,4TBDMS,isomer #9	CC(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=O	4041.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #1	CC(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)=N2	3456.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #1	CC(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)=N2	3532.0	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #1	CC(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)=N2	3888.6	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #2	CC(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)C	3292.7	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #2	CC(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)C	3552.8	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #2	CC(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)C	3277.3	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #3	CC(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)C	3403.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #3	CC(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)C	3535.1	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #3	CC(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)C	3339.7	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #4	CC(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)C	3376.4	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #4	CC(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)C	3498.0	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #4	CC(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)C	3339.4	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #5	CC(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=O	3511.8	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #5	CC(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=O	3647.4	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,5TBDMS,isomer #5	CC(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=O	3297.8	Standard polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TBDMS,isomer #1	CC(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)C	3592.2	Semi standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TBDMS,isomer #1	CC(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)C	3791.9	Standard non polar	33892256
6-Carboxy-5,6,7,8-tetrahydropterin,6TBDMS,isomer #1	CC(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)C	3234.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin GC-MS (Non-derivatized) - 70eV, Positive	splash10-014i-1900000000-dc3fbed489eeb7a97c42	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin GC-MS (1 TMS) - 70eV, Positive	splash10-014i-2900000000-adc7542017f99dcccce6	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 10V, Positive-QTOF	splash10-03dl-0980000000-77c7a65000d61e0f0097	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 20V, Positive-QTOF	splash10-02tc-0920000000-51f8f3890c49ebfcaf17	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 40V, Positive-QTOF	splash10-00gi-4900000000-36d0bbd2f637a9803ecc	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 10V, Negative-QTOF	splash10-03di-0590000000-cf2674cb4f12eea11676	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 20V, Negative-QTOF	splash10-0006-2910000000-e531b1f110f398299483	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6-Carboxy-5,6,7,8-tetrahydropterin 40V, Negative-QTOF	splash10-0f6x-9200000000-89df65f3f9202446a058	2015-09-15	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C20239

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

12463319

PDB ID

Not Available

ChEBI ID

61126

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

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

Reactions

Dihydroneopterin triphosphate + Water → 6-Carboxy-5,6,7,8-tetrahydropterin + Acetaldehyde + Triphosphate	details

Showing metabocard for 6-Carboxy-5,6,7,8-tetrahydropterin (HMDB0060410)

MOL for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

3D MOL for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

3D SDF for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

3D-SDF for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

PDB for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

3D PDB for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

SMILES for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

INCHI for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

Structure for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

3D Structure for HMDB0060410 (6-Carboxy-5,6,7,8-tetrahydropterin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions