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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-02-04 11:01:38 UTC

Update Date

2021-09-14 15:47:58 UTC

HMDB ID

HMDB0011683

Secondary Accession Numbers

HMDB11683

Metabolite Identification

Common Name

Molybdopterin precursor Z

Description

Molybdopterin precursor Z is a molybdopterin precursor. All molybdenum-containing oxotransferases use molybdenum in the form of a pterin-containing cofactor. In some of these enzymes, this cofactor consists of molybdenum ligated to a phosphorylated pterin, called molybdopterin (MPT). MPT is a tricyclic pyranopterin containing a cis-dithiolene group. Together, the metal and the pterin moiety form the redox reactive molybdenum cofactor (MoCo). Conversion of precursor Z to molybdopterin requires the opening of a cyclic phosphate to produce a terminal mono-ester and the transfer of sulfur to generate the dithiolene function essential for molybdenum ligation. Molybdopterin (MPT)-synthase is the enzyme necessary for the conversion of precursor Z into molybdopterin. The large and small subunits of molybdopterin synthase are both encoded from a single gene by overlapping open reading frames. Mutations in patients with deficiencies in MoCo biosynthesis usually occur in the enzymes catalyzing the first and second steps of biosynthesis, leading to the formation of precursor Z and MPT, respectively. The second step is catalyzed by the heterotetrameric MPT synthase protein consisting of two large (MoaE) and two small (MoaD) subunits with the MoaD subunits located at opposite ends of a central MoaE dimer. Previous studies have determined that the conversion of the sulfur- and metal-free precursor Z to MPT by MPT synthase involves the transfer of sulfur atoms from a C-terminal MoaD thiocarboxylate to the C-1' and C-2' positions of precursor Z.

Structure

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

HMDB0011683
     RDKit          3D
Molybdopterin precursor Z
 35 37  0  0  0  0  0  0  0  0999 V2000
    6.3460   -0.0693    1.3931 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441    0.1117    0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1520    0.8670   -0.3524 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9517    1.0560   -1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8839    1.7865   -2.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457    0.3592   -0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    0.4521   -1.2037 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848   -0.1695   -0.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7459    0.8174   -0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257    1.9758   -1.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0870    0.3354   -0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225   -1.0317   -0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7636   -1.4199    0.0245 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9301   -1.9561    1.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1747   -2.6089   -1.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189   -0.0683   -0.2326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2423    1.0764    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7538    1.0524    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2808    2.3457    0.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868   -0.9380    0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -1.1562    1.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8399   -0.4859    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9924   -0.5763    1.1374 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8741   -0.9541    1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6677    0.6937    2.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1636   -0.9146   -1.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7308    0.4795   -1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4308   -3.4389   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8127    1.3285    1.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4565    1.9220   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030    0.5079    1.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9365    2.8372    1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371   -0.4177    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594   -1.9693    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7705   -1.8296    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
  8 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23  2  1  0
 22  6  1  0
 18 11  1  0
  1 24  1  0
  1 25  1  0
  8 26  1  0
 11 27  1  0
 15 28  1  0
 17 29  1  0
 17 30  1  0
 18 31  1  0
 19 32  1  0
 20 33  1  0
 20 34  1  0
 21 35  1  0
M  END


  Mrv1652305171818092D          

 23 25  0  0  0  0            999 V2000
    0.0000   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.7124    0.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2427   -0.5558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 12  2  1  0  0  0  0
 21 15  1  0  0  0  0
 11  6  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0011683

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP(O)(=O)OCC1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H12N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h3-4,7,16H,1-2H2,(H,19,20)(H3,11,12,14,15,18)

> <INCHI_KEY>
YQGTWNYNWXGPDP-UHFFFAOYSA-N

> <FORMULA>
C10H12N5O7P

> <MOLECULAR_WEIGHT>
345.208

> <EXACT_MASS>
345.047434744

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
35

> <JCHEM_AVERAGE_POLARIZABILITY>
28.925105239083482

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-6-(2,5-dihydroxy-2-oxo-1,3,2lambda5-dioxaphosphinane-4-carbonyl)-4,6,7,8-tetrahydropteridin-4-one

> <ALOGPS_LOGP>
-1.61

> <JCHEM_LOGP>
-2.5883110774471416

> <ALOGPS_LOGS>
-1.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.50736788036692

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7722380038342802

> <JCHEM_PKA_STRONGEST_BASIC>
3.3424904299184237

> <JCHEM_POLAR_SURFACE_AREA>
185.26

> <JCHEM_REFRACTIVITY>
70.8666

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-6-(2,5-dihydroxy-2-oxo-1,3,2lambda5-dioxaphosphinane-4-carbonyl)-7,8-dihydro-6H-pteridin-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0011683
     RDKit          3D
Molybdopterin precursor Z
 35 37  0  0  0  0  0  0  0  0999 V2000
    6.3460   -0.0693    1.3931 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441    0.1117    0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1520    0.8670   -0.3524 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9517    1.0560   -1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8839    1.7865   -2.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457    0.3592   -0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    0.4521   -1.2037 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848   -0.1695   -0.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7459    0.8174   -0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257    1.9758   -1.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0870    0.3354   -0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225   -1.0317   -0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7636   -1.4199    0.0245 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9301   -1.9561    1.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1747   -2.6089   -1.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189   -0.0683   -0.2326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2423    1.0764    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7538    1.0524    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2808    2.3457    0.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868   -0.9380    0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -1.1562    1.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8399   -0.4859    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9924   -0.5763    1.1374 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8741   -0.9541    1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6677    0.6937    2.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1636   -0.9146   -1.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7308    0.4795   -1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4308   -3.4389   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8127    1.3285    1.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4565    1.9220   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030    0.5079    1.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9365    2.8372    1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371   -0.4177    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594   -1.9693    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7705   -1.8296    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
  8 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23  2  1  0
 22  6  1  0
 18 11  1  0
  1 24  1  0
  1 25  1  0
  8 26  1  0
 11 27  1  0
 15 28  1  0
 17 29  1  0
 17 30  1  0
 18 31  1  0
 19 32  1  0
 20 33  1  0
 20 34  1  0
 21 35  1  0
M  END

HEADER    PROTEIN                                 17-MAY-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAY-18         0                                  
HETATM    1  N   UNK     0       0.000  -3.080   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       1.334  -0.770   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       5.335   0.000   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       5.335  -3.080   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       2.667  -3.080   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      10.669  -0.000   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      12.003  -0.770   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      12.530   0.677   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      13.520  -1.037   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   12                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12    6                                                  
CONECT   12   11    2                                                       
CONECT   13    8   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19   23                                             
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   15                                                  
CONECT   22   21                                                            
CONECT   23   17                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

COMPND    HMDB0011683
HETATM    1  N1  UNL     1       6.346  -0.069   1.393  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.144   0.112   0.667  1.00  0.00           C  
HETATM    3  N2  UNL     1       5.152   0.867  -0.352  1.00  0.00           N  
HETATM    4  C2  UNL     1       3.952   1.056  -1.089  1.00  0.00           C  
HETATM    5  O1  UNL     1       3.884   1.786  -2.105  1.00  0.00           O  
HETATM    6  C3  UNL     1       2.746   0.359  -0.628  1.00  0.00           C  
HETATM    7  N3  UNL     1       1.621   0.452  -1.204  1.00  0.00           N  
HETATM    8  C4  UNL     1       0.385  -0.170  -0.857  1.00  0.00           C  
HETATM    9  C5  UNL     1      -0.746   0.817  -0.843  1.00  0.00           C  
HETATM   10  O2  UNL     1      -0.526   1.976  -1.103  1.00  0.00           O  
HETATM   11  C6  UNL     1      -2.087   0.335  -0.514  1.00  0.00           C  
HETATM   12  O3  UNL     1      -2.122  -1.032  -0.250  1.00  0.00           O  
HETATM   13  P1  UNL     1      -3.764  -1.420   0.025  1.00  0.00           P  
HETATM   14  O4  UNL     1      -3.930  -1.956   1.421  1.00  0.00           O  
HETATM   15  O5  UNL     1      -4.175  -2.609  -1.112  1.00  0.00           O  
HETATM   16  O6  UNL     1      -4.719  -0.068  -0.233  1.00  0.00           O  
HETATM   17  C7  UNL     1      -4.242   1.076   0.364  1.00  0.00           C  
HETATM   18  C8  UNL     1      -2.754   1.052   0.614  1.00  0.00           C  
HETATM   19  O7  UNL     1      -2.281   2.346   0.800  1.00  0.00           O  
HETATM   20  C9  UNL     1       0.387  -0.938   0.421  1.00  0.00           C  
HETATM   21  N4  UNL     1       1.688  -1.156   1.000  1.00  0.00           N  
HETATM   22  C10 UNL     1       2.840  -0.486   0.554  1.00  0.00           C  
HETATM   23  N5  UNL     1       3.992  -0.576   1.137  1.00  0.00           N  
HETATM   24  H1  UNL     1       6.874  -0.954   1.288  1.00  0.00           H  
HETATM   25  H2  UNL     1       6.668   0.694   2.014  1.00  0.00           H  
HETATM   26  H3  UNL     1       0.164  -0.915  -1.678  1.00  0.00           H  
HETATM   27  H4  UNL     1      -2.731   0.480  -1.429  1.00  0.00           H  
HETATM   28  H5  UNL     1      -4.431  -3.439  -0.633  1.00  0.00           H  
HETATM   29  H6  UNL     1      -4.813   1.328   1.297  1.00  0.00           H  
HETATM   30  H7  UNL     1      -4.456   1.922  -0.353  1.00  0.00           H  
HETATM   31  H8  UNL     1      -2.603   0.508   1.583  1.00  0.00           H  
HETATM   32  H9  UNL     1      -2.937   2.837   1.356  1.00  0.00           H  
HETATM   33  H10 UNL     1      -0.237  -0.418   1.175  1.00  0.00           H  
HETATM   34  H11 UNL     1      -0.059  -1.969   0.301  1.00  0.00           H  
HETATM   35  H12 UNL     1       1.770  -1.830   1.770  1.00  0.00           H  
CONECT    1    2   24   25
CONECT    2    3    3   23
CONECT    3    4
CONECT    4    5    5    6
CONECT    6    7    7   22
CONECT    7    8
CONECT    8    9   20   26
CONECT    9   10   10   11
CONECT   11   12   18   27
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   28
CONECT   16   17
CONECT   17   18   29   30
CONECT   18   19   31
CONECT   19   32
CONECT   20   21   33   34
CONECT   21   22   35
CONECT   22   23   23
END

HMDB0011683
     RDKit          3D
Molybdopterin precursor Z
 35 37  0  0  0  0  0  0  0  0999 V2000
    6.3460   -0.0693    1.3931 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1441    0.1117    0.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1520    0.8670   -0.3524 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9517    1.0560   -1.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8839    1.7865   -2.1047 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7457    0.3592   -0.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    0.4521   -1.2037 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848   -0.1695   -0.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7459    0.8174   -0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5257    1.9758   -1.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0870    0.3354   -0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225   -1.0317   -0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7636   -1.4199    0.0245 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9301   -1.9561    1.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1747   -2.6089   -1.1119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189   -0.0683   -0.2326 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2423    1.0764    0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7538    1.0524    0.6141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2808    2.3457    0.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3868   -0.9380    0.4207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -1.1562    1.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8399   -0.4859    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9924   -0.5763    1.1374 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8741   -0.9541    1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6677    0.6937    2.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1636   -0.9146   -1.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7308    0.4795   -1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4308   -3.4389   -0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8127    1.3285    1.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4565    1.9220   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6030    0.5079    1.5834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9365    2.8372    1.3559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371   -0.4177    1.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0594   -1.9693    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7705   -1.8296    1.7698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
  8 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23  2  1  0
 22  6  1  0
 18 11  1  0
  1 24  1  0
  1 25  1  0
  8 26  1  0
 11 27  1  0
 15 28  1  0
 17 29  1  0
 17 30  1  0
 18 31  1  0
 19 32  1  0
 20 33  1  0
 20 34  1  0
 21 35  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Precursor Z	HMDB

Chemical Formula

C₁₀H₁₂N₅O₇P

Average Molecular Weight

345.208

Monoisotopic Molecular Weight

345.047434744

IUPAC Name

2-amino-6-(2,5-dihydroxy-2-oxo-1,3,2lambda5-dioxaphosphinane-4-carbonyl)-4,6,7,8-tetrahydropteridin-4-one

Traditional Name

2-amino-6-(2,5-dihydroxy-2-oxo-1,3,2lambda5-dioxaphosphinane-4-carbonyl)-7,8-dihydro-6H-pteridin-4-one

CAS Registry Number

Not Available

SMILES

NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP(O)(=O)OCC1O

InChI Identifier

InChI=1S/C10H12N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h3-4,7,16H,1-2H2,(H,19,20)(H3,11,12,14,15,18)

InChI Key

YQGTWNYNWXGPDP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pteridines and derivatives

Sub Class

Pterins and derivatives

Direct Parent

Pterins and derivatives

Alternative Parents

Substituents

Pterin
Aminopyrimidine
Pyrimidone
Organic phosphoric acid derivative
Pyrimidine
Imidolactam
Heteroaromatic compound
Vinylogous amide
Ketone
Secondary alcohol
Oxacycle
Azacycle
Hydrocarbon derivative
Organic oxide
Primary amine
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Alcohol
Carbonyl group
Organic nitrogen compound
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

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	8.73 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-2.6	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	1.77	ChemAxon
pKa (Strongest Basic)	3.34	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	185.26 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	70.87 m³·mol⁻¹	ChemAxon
Polarizability	28.93 Å³	ChemAxon
Number of Rings	3	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]+	175.933	31661259
DarkChem	[M-H]-	171.533	31661259
DeepCCS	[M+H]+	162.485	30932474
DeepCCS	[M-H]-	158.658	30932474
DeepCCS	[M-2H]-	194.884	30932474
DeepCCS	[M+Na]+	171.051	30932474
AllCCS	[M+H]+	174.5	32859911
AllCCS	[M+H-H2O]+	171.4	32859911
AllCCS	[M+NH4]+	177.5	32859911
AllCCS	[M+Na]+	178.3	32859911
AllCCS	[M-H]-	169.3	32859911
AllCCS	[M+Na-2H]-	168.5	32859911
AllCCS	[M+HCOO]-	167.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Molybdopterin precursor Z	NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP(O)(=O)OCC1O	4208.3	Standard polar	33892256
Molybdopterin precursor Z	NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP(O)(=O)OCC1O	2442.5	Standard non polar	33892256
Molybdopterin precursor Z	NC1=NC(=O)C2=NC(CNC2=N1)C(=O)C1OP(O)(=O)OCC1O	3654.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Molybdopterin precursor Z,1TMS,isomer #1	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CNC2=NC(N)=NC(=O)C2=N1	3261.7	Semi standard non polar	33892256
Molybdopterin precursor Z,1TMS,isomer #2	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CNC3=NC(N)=NC(=O)C3=N2)O1	3264.9	Semi standard non polar	33892256
Molybdopterin precursor Z,1TMS,isomer #3	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CNC2=NC(N)=NC(=O)C2=N1	3321.6	Semi standard non polar	33892256
Molybdopterin precursor Z,1TMS,isomer #4	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3334.4	Semi standard non polar	33892256
Molybdopterin precursor Z,1TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CNC2=N1	3398.2	Semi standard non polar	33892256
Molybdopterin precursor Z,1TMS,isomer #6	C[Si](C)(C)N1CC(C(=O)C2OP(=O)(O)OCC2O)N=C2C(=O)N=C(N)N=C21	3212.8	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #1	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CNC2=NC(N)=NC(=O)C2=N1	3176.0	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #1	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CNC2=NC(N)=NC(=O)C2=N1	3057.8	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #1	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CNC2=NC(N)=NC(=O)C2=N1	6480.2	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O)CNC2=N1	3350.6	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O)CNC2=N1	3016.1	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O)CNC2=N1	7169.6	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #11	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3164.0	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #11	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	2943.9	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #11	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	6443.7	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O)CNC2=N1	3288.0	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O)CNC2=N1	3023.8	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #12	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O)CNC2=N1	7135.0	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #13	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3169.2	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #13	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	2931.0	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #13	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	6477.4	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #14	C[Si](C)(C)N(C1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CNC2=N1)[Si](C)(C)C	3341.1	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #14	C[Si](C)(C)N(C1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CNC2=N1)[Si](C)(C)C	3163.3	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #14	C[Si](C)(C)N(C1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CNC2=N1)[Si](C)(C)C	7128.7	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C)C2=N1	3246.9	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C)C2=N1	3055.7	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C)C2=N1	6835.7	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #2	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	3257.7	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #2	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	2967.6	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #2	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	6618.6	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #3	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	3259.4	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #3	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	3002.5	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #3	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	6614.9	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C)CNC2=N1	3283.3	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C)CNC2=N1	3132.6	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C)CNC2=N1	7188.4	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #5	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3129.4	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #5	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3014.2	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #5	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	6537.2	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #6	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	3280.3	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #6	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	2964.7	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #6	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	6374.3	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #7	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CNC2=NC(N)=NC(=O)C2=N1	3312.4	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #7	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CNC2=NC(N)=NC(=O)C2=N1	2978.0	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #7	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CNC2=NC(N)=NC(=O)C2=N1	6404.5	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O)CNC2=N1	3317.1	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O)CNC2=N1	3110.0	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O)CNC2=N1	6900.6	Standard polar	33892256
Molybdopterin precursor Z,2TMS,isomer #9	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C)C3=NC(N)=NC(=O)C3=N2)O1	3148.0	Semi standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #9	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C)C3=NC(N)=NC(=O)C3=N2)O1	2992.7	Standard non polar	33892256
Molybdopterin precursor Z,2TMS,isomer #9	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C)C3=NC(N)=NC(=O)C3=N2)O1	6319.1	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #1	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	3234.7	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #1	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	2991.4	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #1	C[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	6316.0	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3153.0	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3114.9	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	6794.4	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O)CNC2=N1	3272.4	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O)CNC2=N1	3079.3	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O)CNC2=N1	6787.4	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #12	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	3136.2	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #12	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	2956.0	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #12	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	6166.6	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O)CNC2=N1	3327.7	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O)CNC2=N1	3087.1	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O)CNC2=N1	6771.7	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #14	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3178.2	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #14	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3000.2	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #14	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	6168.3	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #15	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CNC3=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)O1	3243.4	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #15	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CNC3=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)O1	3199.0	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #15	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CNC3=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)O1	6655.0	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O)CN([Si](C)(C)C)C2=N1	3174.3	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O)CN([Si](C)(C)C)C2=N1	3116.0	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #16	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O)CN([Si](C)(C)C)C2=N1	6499.1	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #17	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3265.4	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #17	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3083.6	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #17	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6903.4	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O)CN([Si](C)(C)C)C2=N1	3174.0	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O)CN([Si](C)(C)C)C2=N1	3032.3	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O)CN([Si](C)(C)C)C2=N1	6722.6	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #19	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3272.1	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #19	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3087.2	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #19	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	6865.0	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #2	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	3269.8	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #2	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	3050.2	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #2	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	6327.4	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C)C2=N1	3194.1	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C)C2=N1	3009.8	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C)C2=N1	6743.9	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #21	C[Si](C)(C)N1CC(C(=O)C2OP(=O)(O)OCC2O)N=C2C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C21	3155.8	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #21	C[Si](C)(C)N1CC(C(=O)C2OP(=O)(O)OCC2O)N=C2C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C21	3134.1	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #21	C[Si](C)(C)N1CC(C(=O)C2OP(=O)(O)OCC2O)N=C2C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C21	6742.5	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CNC2=N1	3220.8	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CNC2=N1	3170.7	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CNC2=N1	6856.8	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #4	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3073.6	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #4	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3030.8	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #4	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	6266.9	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C)CNC2=N1	3248.8	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C)CNC2=N1	3073.1	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #5	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C)CNC2=N1	7082.6	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #6	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	3122.4	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #6	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	2968.3	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #6	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	6415.2	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C)CNC2=N1	3276.1	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C)CNC2=N1	3094.6	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C)CNC2=N1	7114.4	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #8	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3106.6	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #8	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	2993.7	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #8	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	6375.6	Standard polar	33892256
Molybdopterin precursor Z,3TMS,isomer #9	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3237.4	Semi standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #9	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3192.3	Standard non polar	33892256
Molybdopterin precursor Z,3TMS,isomer #9	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6964.2	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CNC2=N1	3234.7	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CNC2=N1	3110.2	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #1	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CNC2=N1	6715.2	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3127.7	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3066.8	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #10	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	6636.2	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #11	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3105.9	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #11	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3166.7	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #11	C[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6650.1	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #12	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	3227.7	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #12	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	3127.1	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #12	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	6459.6	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O)CN([Si](C)(C)C)C2=N1	3162.5	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O)CN([Si](C)(C)C)C2=N1	3050.8	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O)CN([Si](C)(C)C)C2=N1	6368.4	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #14	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3259.9	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #14	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3139.4	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #14	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6463.5	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O)CN([Si](C)(C)C)C2=N1	3190.4	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O)CN([Si](C)(C)C)C2=N1	3090.0	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O)CN([Si](C)(C)C)C2=N1	6318.0	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #16	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C)C3=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)O1	3112.2	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #16	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C)C3=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)O1	3170.3	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #16	C[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C)C3=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C3=N2)O1	6357.1	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #17	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3123.0	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #17	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3082.3	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #17	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6561.7	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #18	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3121.5	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #18	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3068.3	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #18	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	6554.5	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #2	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	3120.2	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #2	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	2988.5	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #2	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	6144.4	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CNC2=N1	3269.0	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CNC2=N1	3141.1	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #3	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CNC2=N1	6711.0	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #4	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3142.5	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #4	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	3020.6	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #4	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N)=NC(=O)C2=N1	6144.1	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #5	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3193.8	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #5	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3210.8	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #5	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6562.0	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3104.9	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3132.7	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	6404.1	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #7	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	3234.0	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #7	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	3122.4	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #7	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	6758.6	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3163.4	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3056.7	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	6662.1	Standard polar	33892256
Molybdopterin precursor Z,4TMS,isomer #9	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3207.7	Semi standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #9	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3118.0	Standard non polar	33892256
Molybdopterin precursor Z,4TMS,isomer #9	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6791.5	Standard polar	33892256
Molybdopterin precursor Z,5TMS,isomer #1	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	3255.2	Semi standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #1	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	3142.4	Standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #1	C[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	6391.0	Standard polar	33892256
Molybdopterin precursor Z,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3162.7	Semi standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3079.9	Standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #2	C[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C)C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	6302.6	Standard polar	33892256
Molybdopterin precursor Z,5TMS,isomer #3	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3246.4	Semi standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #3	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3137.4	Standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #3	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CNC2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6408.4	Standard polar	33892256
Molybdopterin precursor Z,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3163.7	Semi standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	3092.4	Standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #4	C[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C)=C3OP(=O)(O[Si](C)(C)C)OCC3O[Si](C)(C)C)CN([Si](C)(C)C)C2=N1	6272.7	Standard polar	33892256
Molybdopterin precursor Z,5TMS,isomer #5	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3109.3	Semi standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #5	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3158.2	Standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #5	C[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C)OC1C(=O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6273.5	Standard polar	33892256
Molybdopterin precursor Z,5TMS,isomer #6	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	3144.5	Semi standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #6	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	3112.4	Standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #6	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C	6467.0	Standard polar	33892256
Molybdopterin precursor Z,5TMS,isomer #7	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3116.7	Semi standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #7	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3088.7	Standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #7	C[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6479.4	Standard polar	33892256
Molybdopterin precursor Z,5TMS,isomer #8	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	3135.2	Semi standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #8	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	3085.3	Standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #8	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O	6187.2	Standard polar	33892256
Molybdopterin precursor Z,5TMS,isomer #9	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3174.2	Semi standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #9	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3115.5	Standard non polar	33892256
Molybdopterin precursor Z,5TMS,isomer #9	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6193.7	Standard polar	33892256
Molybdopterin precursor Z,6TMS,isomer #1	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	3175.2	Semi standard non polar	33892256
Molybdopterin precursor Z,6TMS,isomer #1	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	3111.3	Standard non polar	33892256
Molybdopterin precursor Z,6TMS,isomer #1	C[Si](C)(C)OC(=C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C	6127.5	Standard polar	33892256
Molybdopterin precursor Z,6TMS,isomer #2	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3186.9	Semi standard non polar	33892256
Molybdopterin precursor Z,6TMS,isomer #2	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	3106.6	Standard non polar	33892256
Molybdopterin precursor Z,6TMS,isomer #2	C[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C)OCC1O[Si](C)(C)C)C1CN([Si](C)(C)C)C2=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(=O)C2=N1	6150.1	Standard polar	33892256
Molybdopterin precursor Z,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CNC2=NC(N)=NC(=O)C2=N1	3464.1	Semi standard non polar	33892256
Molybdopterin precursor Z,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CNC3=NC(N)=NC(=O)C3=N2)O1	3466.1	Semi standard non polar	33892256
Molybdopterin precursor Z,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CNC2=NC(N)=NC(=O)C2=N1	3509.0	Semi standard non polar	33892256
Molybdopterin precursor Z,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3499.7	Semi standard non polar	33892256
Molybdopterin precursor Z,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CNC2=N1	3570.9	Semi standard non polar	33892256
Molybdopterin precursor Z,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1CC(C(=O)C2OP(=O)(O)OCC2O)N=C2C(=O)N=C(N)N=C21	3397.8	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OC1C(=O)C1CNC2=NC(N)=NC(=O)C2=N1	3585.5	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OC1C(=O)C1CNC2=NC(N)=NC(=O)C2=N1	3507.8	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OC1C(=O)C1CNC2=NC(N)=NC(=O)C2=N1	6729.2	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O)CNC2=N1	3681.7	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O)CNC2=N1	3467.7	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O)CNC2=N1	7309.6	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3513.9	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3368.5	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	6599.5	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O)CNC2=N1	3624.3	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O)CNC2=N1	3453.0	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O)CNC2=N1	7272.9	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3530.9	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3342.2	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	6622.6	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CNC2=N1)[Si](C)(C)C(C)(C)C	3615.1	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CNC2=N1)[Si](C)(C)C(C)(C)C	3545.0	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CNC2=N1)[Si](C)(C)C(C)(C)C	7258.6	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3583.5	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3468.1	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	6988.9	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C	3623.0	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C	3426.7	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C	6774.8	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	3647.0	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	3466.6	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	6769.9	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3648.0	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3604.2	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	7389.7	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3496.0	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3455.8	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	6713.9	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O	3661.1	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O	3385.8	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O	6610.3	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O)C1CNC2=NC(N)=NC(=O)C2=N1	3698.1	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O)C1CNC2=NC(N)=NC(=O)C2=N1	3417.9	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O)C1CNC2=NC(N)=NC(=O)C2=N1	6641.9	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CNC2=N1	3665.6	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CNC2=N1	3544.0	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CNC2=N1	7233.5	Standard polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C(C)(C)C)C3=NC(N)=NC(=O)C3=N2)O1	3497.4	Semi standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C(C)(C)C)C3=NC(N)=NC(=O)C3=N2)O1	3406.6	Standard non polar	33892256
Molybdopterin precursor Z,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C(C)(C)C)C3=NC(N)=NC(=O)C3=N2)O1	6556.4	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C	3806.9	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C	3576.3	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C	6580.4	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	3657.5	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	3715.5	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	6971.1	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CNC2=N1	3789.0	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CNC2=N1	3624.5	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CNC2=N1	7110.4	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O	3682.3	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O	3507.4	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O	6419.5	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CNC2=N1	3812.2	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CNC2=N1	3657.4	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CNC2=N1	7119.8	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3677.5	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3564.3	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	6443.8	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CNC3=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)O1	3720.2	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CNC3=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)O1	3720.9	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CNC3=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)O1	6876.3	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3662.2	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3670.7	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	6777.6	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3726.2	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3626.0	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	6975.9	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3673.7	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3591.1	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	6874.0	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3705.9	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3618.8	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	6942.2	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	3818.7	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	3645.3	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C)C1CNC2=NC(N)=NC(=O)C2=N1	6613.2	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3680.6	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3550.1	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	6888.1	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CC(C(=O)C2OP(=O)(O)OCC2O)N=C2C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21	3620.5	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CC(C(=O)C2OP(=O)(O)OCC2O)N=C2C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21	3662.9	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N1CC(C(=O)C2OP(=O)(O)OCC2O)N=C2C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C21	6845.2	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3770.0	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3784.4	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	7221.4	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OC1C(=O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3620.6	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OC1C(=O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3631.2	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OC1C(=O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	6520.2	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3753.8	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3666.2	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	7292.2	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C	3672.2	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C	3552.1	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C	6608.6	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3766.3	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3684.3	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	7326.7	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3632.8	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3580.7	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	6587.7	Standard polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3691.5	Semi standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3761.4	Standard non polar	33892256
Molybdopterin precursor Z,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	7071.7	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3926.6	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3774.9	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	7117.2	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	3780.2	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	3747.3	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	6852.1	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3715.9	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3860.1	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1COP(=O)(O)OC1C(=O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	6777.1	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O	3844.5	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O	3761.5	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O	6722.7	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3803.0	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3697.0	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	6668.8	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3850.8	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3790.1	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	6755.9	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3798.8	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	3751.5	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O)CN([Si](C)(C)C(C)(C)C)C2=N1	6665.9	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C(C)(C)C)C3=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)O1	3716.5	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C(C)(C)C)C3=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)O1	3816.8	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP1(=O)OCC(O)C(C(=O)C2CN([Si](C)(C)C(C)(C)C)C3=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C3=N2)O1	6588.3	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3749.5	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3735.6	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	6687.4	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3750.0	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	3718.0	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O	6667.9	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C	3799.7	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C	3681.9	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1)C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C	6420.2	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3891.6	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	3824.8	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(O[Si](C)(C)C(C)(C)C)=C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CNC2=N1	7152.0	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3775.7	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	3723.9	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O[Si](C)(C)C(C)(C)C)OCC1O[Si](C)(C)C(C)(C)C)C1CN([Si](C)(C)C(C)(C)C)C2=NC(N)=NC(=O)C2=N1	6458.2	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3831.8	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3894.8	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COP(=O)(O[Si](C)(C)C(C)(C)C)OC1C(=O)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	6837.3	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	3766.7	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	3833.0	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(C(=O)C3OP(=O)(O[Si](C)(C)C(C)(C)C)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	6739.3	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C	3849.5	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C	3794.5	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1)C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C	6907.9	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	3809.3	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	3730.4	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)C2=NC(=C(O[Si](C)(C)C(C)(C)C)C3OP(=O)(O)OCC3O[Si](C)(C)C(C)(C)C)CN([Si](C)(C)C(C)(C)C)C2=N1	6858.3	Standard polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3844.5	Semi standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	3789.2	Standard non polar	33892256
Molybdopterin precursor Z,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=C1OP(=O)(O)OCC1O[Si](C)(C)C(C)(C)C)C1CNC2=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(=O)C2=N1	6939.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Molybdopterin precursor Z 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 - Molybdopterin precursor Z 10V, Positive-QTOF	splash10-0002-0109000000-373c14d8efc035c95401	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 20V, Positive-QTOF	splash10-03di-0912000000-27771db583592aa24ed4	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 40V, Positive-QTOF	splash10-0006-9510000000-5e1359fc622ffe32f509	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 10V, Negative-QTOF	splash10-0f96-1219000000-54e9e2aa09370b7b0e53	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 20V, Negative-QTOF	splash10-002f-9312000000-83c88e02656ab2af6812	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 40V, Negative-QTOF	splash10-004i-9000000000-41065307c90e75c45cd7	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 10V, Positive-QTOF	splash10-0002-0009000000-513d3eaca5836e6575a4	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 20V, Positive-QTOF	splash10-0002-0129000000-dec57bd3c198202e9d4c	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 40V, Positive-QTOF	splash10-0006-0933000000-0ddd1191ccee7e906f5e	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 10V, Negative-QTOF	splash10-0006-0009000000-9ebf2bf873fdea0ab0a5	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 20V, Negative-QTOF	splash10-002f-2819000000-f31da46cc14e2aaf43f2	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Molybdopterin precursor Z 40V, Negative-QTOF	splash10-0006-9804000000-b0c341544941f65e12a3	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

FDB028370

KNApSAcK ID

Not Available

Chemspider ID

74886369

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53481028

PDB ID

Not Available

ChEBI ID

Not Available

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

Not Available

Showing metabocard for Molybdopterin precursor Z (HMDB0011683)

MOL for HMDB0011683 (Molybdopterin precursor Z)

3D MOL for HMDB0011683 (Molybdopterin precursor Z)

3D SDF for HMDB0011683 (Molybdopterin precursor Z)

3D-SDF for HMDB0011683 (Molybdopterin precursor Z)

PDB for HMDB0011683 (Molybdopterin precursor Z)

3D PDB for HMDB0011683 (Molybdopterin precursor Z)

SMILES for HMDB0011683 (Molybdopterin precursor Z)

INCHI for HMDB0011683 (Molybdopterin precursor Z)

Structure for HMDB0011683 (Molybdopterin precursor Z)

3D Structure for HMDB0011683 (Molybdopterin precursor Z)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra