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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-03-23 05:47:09 UTC

Update Date

2022-03-07 03:17:58 UTC

HMDB ID

HMDB0062708

Secondary Accession Numbers

HMDB62708

Metabolite Identification

Common Name

5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)

Description

5-Formylamino-4-imidazolecarboxamide ribonucleotide belongs to the class of organic compounds known as 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond. 5-Formylamino-4-imidazolecarboxamide ribonucleotide is a very strong basic compound (based on its pKa).

Structure

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

HMDB0062708
     RDKit          3D
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)
 39 40  0  0  0  0  0  0  0  0999 V2000
   -5.3390    1.6514    0.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6969    1.2360    1.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3807    1.2167    2.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3016    0.8263    1.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6445    0.4281    2.6197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669    0.1262    2.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1959    0.3343    0.9723 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    0.1415    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9393   -0.6455    0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6935   -1.3265   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790   -1.1225    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5439    0.2148   -0.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198    0.3270    0.1793 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.7650   -0.7671    1.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9465    0.3112   -1.3525 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5732    1.8182    0.9179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110   -0.9880   -1.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895    0.0959   -1.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312   -0.5676   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -1.7108   -0.8939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620    0.7571    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7192    1.1128   -0.8363 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4844    0.3010   -1.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9326   -0.8674   -0.9691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0491    2.5102   -0.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283    1.0926   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5736   -0.2199    2.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074    1.1336    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5082   -2.4183    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4773   -1.4727    1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6970   -1.7563   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275   -0.5747   -1.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    2.2229    0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217   -1.8615   -2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.9483   -1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6234    0.1096   -1.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118   -1.9958   -1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824    0.5272   -2.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882   -1.1482   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  7 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 21  4  2  0
 19  8  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  8 28  1  0
 10 29  1  0
 11 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  0
 18 35  1  0
 19 36  1  0
 20 37  1  0
 23 38  1  0
 24 39  1  0
M  END


  Mrv1652305171807232D          

 24 25  0  0  0  0            999 V2000
    1.2564   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2564   -0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    0.2323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    1.0573    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420    1.8823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2830    1.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9239   -1.4901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6689   -2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538   -2.9422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9788   -2.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2338   -3.7268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -4.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5663   -5.0367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2808   -5.4492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8519   -5.4492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989   -3.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1143   -3.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9428   -4.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8439   -2.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590   -2.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5890   -1.4901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956   -1.2352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3670    1.0573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1581   -5.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  1  7  1  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21  1  1  0  0  0  0
 16  9  1  0  0  0  0
 23  4  1  0  0  0  0
 18 24  1  4  0  0  0
M  END
> <DATABASE_ID>
HMDB0062708

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=O)C1=C(N=CO)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)

> <INCHI_KEY>
ABCOOORLYAOBOZ-UHFFFAOYSA-N

> <FORMULA>
C10H15N4O9P

> <MOLECULAR_WEIGHT>
366.223

> <EXACT_MASS>
366.057665077

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
31.118301075627755

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[5-(4-carbamoyl-5-formamido-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-2.11

> <JCHEM_LOGP>
-4.05519818305886

> <ALOGPS_LOGS>
-2.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.681799274980787

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.209278635834484

> <JCHEM_PKA_STRONGEST_BASIC>
6.250636913442499

> <JCHEM_POLAR_SURFACE_AREA>
206.46

> <JCHEM_REFRACTIVITY>
74.81419999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[5-(4-carbamoyl-5-formamidoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0062708
     RDKit          3D
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)
 39 40  0  0  0  0  0  0  0  0999 V2000
   -5.3390    1.6514    0.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6969    1.2360    1.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3807    1.2167    2.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3016    0.8263    1.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6445    0.4281    2.6197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669    0.1262    2.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1959    0.3343    0.9723 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    0.1415    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9393   -0.6455    0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6935   -1.3265   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790   -1.1225    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5439    0.2148   -0.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198    0.3270    0.1793 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.7650   -0.7671    1.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9465    0.3112   -1.3525 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5732    1.8182    0.9179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110   -0.9880   -1.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895    0.0959   -1.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312   -0.5676   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -1.7108   -0.8939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620    0.7571    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7192    1.1128   -0.8363 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4844    0.3010   -1.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9326   -0.8674   -0.9691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0491    2.5102   -0.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283    1.0926   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5736   -0.2199    2.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074    1.1336    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5082   -2.4183    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4773   -1.4727    1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6970   -1.7563   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275   -0.5747   -1.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    2.2229    0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217   -1.8615   -2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.9483   -1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6234    0.1096   -1.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118   -1.9958   -1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824    0.5272   -2.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882   -1.1482   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  7 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 21  4  2  0
 19  8  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  8 28  1  0
 10 29  1  0
 11 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  0
 18 35  1  0
 19 36  1  0
 20 37  1  0
 23 38  1  0
 24 39  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  C   UNK     0       2.345  -1.876   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.345  -0.336   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.012   0.434   0.000  0.00  0.00           O+0
HETATM    4  P   UNK     0       1.012   1.974   0.000  0.00  0.00           P+0
HETATM    5  O   UNK     0       1.012   3.514   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -0.528   1.974   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       3.591  -2.782   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.115  -4.246   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       4.021  -5.492   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       5.561  -5.492   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       6.036  -6.957   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       4.791  -7.862   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.791  -9.402   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       6.124 -10.172   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0       3.457 -10.172   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       3.545  -6.957   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       2.080  -7.433   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       1.760  -8.939   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.575  -4.246   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       0.670  -5.492   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.099  -2.782   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -0.365  -2.306   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       2.552   1.974   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.295  -9.415   0.000  0.00  0.00           O+0
CONECT    1    2    7   21                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6   23                                             
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    1    8                                                       
CONECT    8    7    9   19                                                  
CONECT    9    8   10   16                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   12   17    9                                                  
CONECT   17   16   18                                                       
CONECT   18   17   24                                                       
CONECT   19    8   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22    1                                                  
CONECT   22   21                                                            
CONECT   23    4                                                            
CONECT   24   18                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0062708
HETATM    1  N1  UNL     1      -5.339   1.651   0.280  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.697   1.236   1.455  1.00  0.00           C  
HETATM    3  O1  UNL     1      -5.381   1.217   2.534  1.00  0.00           O  
HETATM    4  C2  UNL     1      -3.302   0.826   1.520  1.00  0.00           C  
HETATM    5  N2  UNL     1      -2.644   0.428   2.620  1.00  0.00           N  
HETATM    6  C3  UNL     1      -1.367   0.126   2.305  1.00  0.00           C  
HETATM    7  N3  UNL     1      -1.196   0.334   0.972  1.00  0.00           N  
HETATM    8  C4  UNL     1       0.005   0.142   0.217  1.00  0.00           C  
HETATM    9  O2  UNL     1       0.939  -0.645   0.873  1.00  0.00           O  
HETATM   10  C5  UNL     1       1.693  -1.327  -0.034  1.00  0.00           C  
HETATM   11  C6  UNL     1       3.179  -1.123   0.124  1.00  0.00           C  
HETATM   12  O3  UNL     1       3.544   0.215  -0.015  1.00  0.00           O  
HETATM   13  P1  UNL     1       5.220   0.327   0.179  1.00  0.00           P  
HETATM   14  O4  UNL     1       5.765  -0.767   1.058  1.00  0.00           O  
HETATM   15  O5  UNL     1       5.947   0.311  -1.353  1.00  0.00           O  
HETATM   16  O6  UNL     1       5.573   1.818   0.918  1.00  0.00           O  
HETATM   17  C7  UNL     1       1.211  -0.988  -1.416  1.00  0.00           C  
HETATM   18  O7  UNL     1       1.890   0.096  -1.976  1.00  0.00           O  
HETATM   19  C8  UNL     1      -0.231  -0.568  -1.098  1.00  0.00           C  
HETATM   20  O8  UNL     1      -0.952  -1.711  -0.894  1.00  0.00           O  
HETATM   21  C9  UNL     1      -2.362   0.757   0.494  1.00  0.00           C  
HETATM   22  N4  UNL     1      -2.719   1.113  -0.836  1.00  0.00           N  
HETATM   23  C10 UNL     1      -3.484   0.301  -1.521  1.00  0.00           C  
HETATM   24  O9  UNL     1      -3.933  -0.867  -0.969  1.00  0.00           O  
HETATM   25  H1  UNL     1      -5.049   2.510  -0.228  1.00  0.00           H  
HETATM   26  H2  UNL     1      -6.128   1.093  -0.103  1.00  0.00           H  
HETATM   27  H3  UNL     1      -0.574  -0.220   2.935  1.00  0.00           H  
HETATM   28  H4  UNL     1       0.507   1.134   0.048  1.00  0.00           H  
HETATM   29  H5  UNL     1       1.508  -2.418   0.113  1.00  0.00           H  
HETATM   30  H6  UNL     1       3.477  -1.473   1.124  1.00  0.00           H  
HETATM   31  H7  UNL     1       3.697  -1.756  -0.626  1.00  0.00           H  
HETATM   32  H8  UNL     1       5.827  -0.575  -1.770  1.00  0.00           H  
HETATM   33  H9  UNL     1       6.354   2.223   0.467  1.00  0.00           H  
HETATM   34  H10 UNL     1       1.222  -1.862  -2.099  1.00  0.00           H  
HETATM   35  H11 UNL     1       1.504   0.948  -1.722  1.00  0.00           H  
HETATM   36  H12 UNL     1      -0.623   0.110  -1.876  1.00  0.00           H  
HETATM   37  H13 UNL     1      -1.512  -1.996  -1.653  1.00  0.00           H  
HETATM   38  H14 UNL     1      -3.782   0.527  -2.534  1.00  0.00           H  
HETATM   39  H15 UNL     1      -3.788  -1.148  -0.007  1.00  0.00           H  
CONECT    1    2   25   26
CONECT    2    3    3    4
CONECT    4    5   21   21
CONECT    5    6    6
CONECT    6    7   27
CONECT    7    8   21
CONECT    8    9   19   28
CONECT    9   10
CONECT   10   11   17   29
CONECT   11   12   30   31
CONECT   12   13
CONECT   13   14   14   15   16
CONECT   15   32
CONECT   16   33
CONECT   17   18   19   34
CONECT   18   35
CONECT   19   20   36
CONECT   20   37
CONECT   21   22
CONECT   22   23   23
CONECT   23   24   38
CONECT   24   39
END

HMDB0062708
     RDKit          3D
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)
 39 40  0  0  0  0  0  0  0  0999 V2000
   -5.3390    1.6514    0.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6969    1.2360    1.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3807    1.2167    2.5340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3016    0.8263    1.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6445    0.4281    2.6197 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3669    0.1262    2.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1959    0.3343    0.9723 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049    0.1415    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9393   -0.6455    0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6935   -1.3265   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1790   -1.1225    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5439    0.2148   -0.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198    0.3270    0.1793 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.7650   -0.7671    1.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9465    0.3112   -1.3525 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5732    1.8182    0.9179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110   -0.9880   -1.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8895    0.0959   -1.9760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312   -0.5676   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9517   -1.7108   -0.8939 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3620    0.7571    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7192    1.1128   -0.8363 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4844    0.3010   -1.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9326   -0.8674   -0.9691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0491    2.5102   -0.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1283    1.0926   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5736   -0.2199    2.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5074    1.1336    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5082   -2.4183    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4773   -1.4727    1.1245 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6970   -1.7563   -0.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275   -0.5747   -1.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    2.2229    0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2217   -1.8615   -2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5042    0.9483   -1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6234    0.1096   -1.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5118   -1.9958   -1.6529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824    0.5272   -2.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882   -1.1482   -0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 13 16  1  0
 10 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  7 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 21  4  2  0
 19  8  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  8 28  1  0
 10 29  1  0
 11 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  0
 18 35  1  0
 19 36  1  0
 20 37  1  0
 23 38  1  0
 24 39  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₀H₁₅N₄O₉P

Average Molecular Weight

366.223

Monoisotopic Molecular Weight

366.057665077

IUPAC Name

{[5-(4-carbamoyl-5-formamido-1H-imidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Traditional Name

[5-(4-carbamoyl-5-formamidoimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid

CAS Registry Number

Not Available

SMILES

NC(=O)C1=C(N=CO)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O

InChI Identifier

InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)

InChI Key

ABCOOORLYAOBOZ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Imidazole ribonucleosides and ribonucleotides

Sub Class

1-ribosyl-imidazolecarboxamides

Direct Parent

1-ribosyl-imidazolecarboxamides

Alternative Parents

Substituents

1-ribosyl-imidazolecarboxamide
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Pentose monosaccharide
N-arylamide
2-heteroaryl carboxamide
Imidazole-4-carbonyl group
Monoalkyl phosphate
N-substituted imidazole
Organic phosphoric acid derivative
Monosaccharide
Alkyl phosphate
Phosphoric acid ester
Heteroaromatic compound
Azole
Vinylogous amide
Imidazole
Tetrahydrofuran
Carboxamide group
1,2-diol
Secondary carboxylic acid amide
Primary carboxylic acid amide
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic nitrogen compound
Organic oxide
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Organopnictogen compound
Organooxygen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Not Available

Not Available

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	3.92 g/l	ALOGPS
LogP	-1.64	ALOGPS

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.1	ALOGPS
logP	-4.1	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.21	ChemAxon
pKa (Strongest Basic)	6.25	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	206.46 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	74.81 m³·mol⁻¹	ChemAxon
Polarizability	31.12 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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
DeepCCS	[M+H]+	170.545	30932474
DeepCCS	[M-H]-	167.982	30932474
DeepCCS	[M-2H]-	202.479	30932474
DeepCCS	[M+Na]+	178.613	30932474
AllCCS	[M+H]+	177.7	32859911
AllCCS	[M+H-H2O]+	175.0	32859911
AllCCS	[M+NH4]+	180.3	32859911
AllCCS	[M+Na]+	181.0	32859911
AllCCS	[M-H]-	172.4	32859911
AllCCS	[M+Na-2H]-	172.2	32859911
AllCCS	[M+HCOO]-	172.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)	NC(=O)C1=C(N=CO)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O	3560.1	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)	NC(=O)C1=C(N=CO)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O	2658.1	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-)	NC(=O)C1=C(N=CO)N(C=N1)C1OC(COP(O)(O)=O)C(O)C1O	3430.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O)C(O)C1O	3195.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TMS,isomer #2	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(N)=O)=C2N=CO)C1O	3221.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TMS,isomer #3	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N1C=NC(C(N)=O)=C1N=CO	3213.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC(C(N)=O)=C2N=CO)C(O)C1O	3252.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TMS,isomer #5	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O)C2O)C=N1	3297.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	3128.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #10	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC(C(N)=O)=C2N=CO)C(O)C1O)O[Si](C)(C)C	3186.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #11	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O)C2O)C=N1	3219.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #12	C[Si](C)(C)N(C(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O)C2O)C=N1)[Si](C)(C)C	3361.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #2	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	3119.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	3131.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O)C(O)C2O)C=N1	3172.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C	3160.1	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #6	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O	3168.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #7	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C)C2O)C=N1	3226.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #8	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC(C(N)=O)=C1N=CO	3164.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O)C2O[Si](C)(C)C)C=N1	3215.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3037.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #10	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3171.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O	3116.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #12	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	3137.9	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O	3250.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #14	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC(C(N)=O)=C1N=CO	3105.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #15	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	3128.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #16	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N=CO	3239.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #17	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C=N1	3146.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C(O)C1O	3261.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #2	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3047.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #3	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C)C2O)C=N1	3096.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #4	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3039.1	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #5	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O)C(O)C2O[Si](C)(C)C)C=N1	3087.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #6	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3060.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #7	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O)C2O)C=N1	3088.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #8	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O)C1O	3192.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TMS,isomer #9	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C	3103.9	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3012.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2947.2	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4847.4	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #10	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	3126.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #10	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	3299.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #10	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	4754.0	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C	3068.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C	2929.5	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C	4671.9	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #12	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3084.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #12	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3019.8	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #12	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	4660.7	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O[Si](C)(C)C	3167.1	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O[Si](C)(C)C	3207.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #13	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O[Si](C)(C)C	4845.5	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #14	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	3083.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #14	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	3062.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #14	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	4535.1	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #15	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O	3165.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #15	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O	3211.2	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #15	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O	4661.5	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #16	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	3069.4	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #16	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	3085.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #16	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	4562.6	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #17	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N=CO	3155.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #17	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N=CO	3227.4	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #17	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N=CO	4683.1	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #18	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C(O)C1O)O[Si](C)(C)C	3159.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #18	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C(O)C1O)O[Si](C)(C)C	3292.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #18	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C(O)C1O)O[Si](C)(C)C	4516.4	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3042.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3079.6	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	4966.9	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3024.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2985.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4725.7	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	3039.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	3072.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	4781.2	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #5	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	3118.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #5	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	3274.6	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #5	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	4965.4	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #6	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3012.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #6	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3003.6	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #6	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4748.5	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #7	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	3032.4	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #7	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	3090.5	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #7	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	4802.8	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #8	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	3108.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #8	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	3285.4	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #8	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	4985.5	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C=N1	3041.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C=N1	3147.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O)C=N1	4627.2	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3007.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2928.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4497.9	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O[Si](C)(C)C	3125.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O[Si](C)(C)C	3146.6	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #10	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O[Si](C)(C)C	4323.2	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O	3106.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O	3180.7	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #11	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O	4224.4	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #12	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N=CO	3091.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #12	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N=CO	3202.4	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #12	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N=CO	4253.5	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3008.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3030.3	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	4446.4	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3094.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3214.3	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4557.8	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	3023.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	3061.8	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=N1	4337.8	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #5	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3089.1	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #5	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3204.1	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #5	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4427.0	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #6	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	3014.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #6	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	3082.4	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #6	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=N1	4365.8	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #7	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3079.9	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #7	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3222.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #7	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4449.0	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #8	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3085.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #8	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	3272.8	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #8	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	4305.0	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3048.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3016.6	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),5TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	4235.9	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #1	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3013.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #1	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	3023.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #1	C[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=N1	4054.8	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #2	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3083.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #2	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3141.9	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #2	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4095.5	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3098.4	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3170.3	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #3	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4026.8	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #4	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3089.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #4	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3189.2	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #4	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4053.7	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O[Si](C)(C)C	3089.9	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O[Si](C)(C)C	3120.2	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),6TMS,isomer #5	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N=CO)C1O[Si](C)(C)C	3928.1	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),7TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3094.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),7TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3116.3	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),7TMS,isomer #1	C[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3779.8	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O)C(O)C1O	3436.9	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(N)=O)=C2N=CO)C1O	3464.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N1C=NC(C(N)=O)=C1N=CO	3457.9	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC(C(N)=O)=C2N=CO)C(O)C1O	3472.1	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O)C2O)C=N1	3502.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3558.4	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC(C(N)=O)=C2N=CO)C(O)C1O)O[Si](C)(C)C(C)(C)C	3642.4	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C=N1	3616.4	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O)C2O)C=N1)[Si](C)(C)C(C)(C)C	3724.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3553.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O	3572.4	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O)C(O)C2O)C=N1	3572.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C(C)(C)C	3594.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O	3607.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C=N1	3636.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC(C(N)=O)=C1N=CO	3606.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C=N1	3633.4	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3665.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=N1	3726.9	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O	3761.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=N1	3717.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C1O	3840.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC1N1C=NC(C(N)=O)=C1N=CO	3755.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=N1	3709.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N=CO	3836.3	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C=N1	3735.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C(O)C1O	3859.1	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3707.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O)C=N1	3682.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3700.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O)C(O)C2O[Si](C)(C)C(C)(C)C)C=N1	3669.4	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O	3722.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O)C=N1	3697.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O)C1O	3803.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C(C)(C)C	3728.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3805.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3629.4	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4913.9	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O	3896.9	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O	3956.3	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C1O	4767.8	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C(C)(C)C	3860.2	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C(C)(C)C	3619.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OC(N2C=NC(C(N)=O)=C2N=CO)C1O[Si](C)(C)C(C)(C)C	4782.0	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=N1	3786.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=N1	3735.8	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=N1	4761.3	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C1O[Si](C)(C)C(C)(C)C	3941.7	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C1O[Si](C)(C)C(C)(C)C	3913.6	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C1O[Si](C)(C)C(C)(C)C	4814.3	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=N1	3784.9	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=N1	3736.4	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=N1	4687.1	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C1O	3931.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C1O	3911.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C1O	4697.4	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=N1	3778.1	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=N1	3764.6	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=N1	4713.3	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N=CO	3926.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N=CO	3932.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)OC1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N=CO	4717.3	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C(O)C1O)O[Si](C)(C)C(C)(C)C	3926.6	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C(O)C1O)O[Si](C)(C)C(C)(C)C	3923.7	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OCC1OC(N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N=CO)C(O)C1O)O[Si](C)(C)C(C)(C)C	4631.4	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=N1	3763.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=N1	3759.7	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=N1	4963.4	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3836.1	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3640.2	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4823.0	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=N1	3779.0	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=N1	3761.5	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=N1	4838.5	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3912.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3953.7	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O[Si](C)(C)C(C)(C)C)C1O	4890.6	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3824.1	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3661.7	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC=NC1=C(C(N)=O)N=CN1C1OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4844.5	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=N1	3771.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=N1	3784.1	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=N1	4858.0	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3904.5	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3965.0	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC=NC1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C(C)(C)C	4908.0	Standard polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C=N1	3787.8	Semi standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C=N1	3766.4	Standard non polar	33892256
5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-),4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N=CO[Si](C)(C)C(C)(C)C)N(C2OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O)C2O)C=N1	4758.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 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 - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 10V, Positive-QTOF	splash10-0550-0819000000-fa0036bab1a970ebfd79	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 20V, Positive-QTOF	splash10-004i-0900000000-be5ce539c7bbc294ca7f	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 40V, Positive-QTOF	splash10-056r-1900000000-b38c3ad49205768b1ef7	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 10V, Negative-QTOF	splash10-00n0-5309000000-441070e252b45d357776	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 20V, Negative-QTOF	splash10-00b9-9701000000-c4337a3182979afceafa	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 40V, Negative-QTOF	splash10-004i-9000000000-bba6935a0975a5477c79	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 10V, Negative-QTOF	splash10-016u-9008000000-3ba59e4f2446396b1d7f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 20V, Negative-QTOF	splash10-004i-9002000000-e694214cf28f9043673e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 40V, Negative-QTOF	splash10-004i-9100000000-3b654594a1bd59d327a2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 10V, Positive-QTOF	splash10-000i-0916000000-a41cc81c1abeb3cce2ef	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 20V, Positive-QTOF	splash10-000i-1931000000-22559265d1c92ec4d385	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) 40V, Positive-QTOF	splash10-0a4r-3900000000-283fed0334bfa3bf890b	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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
Predicted 1D NMR	¹³C 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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

1011

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 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-) (HMDB0062708)

MOL for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

3D MOL for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

3D SDF for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

3D-SDF for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

PDB for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

3D PDB for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

SMILES for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

INCHI for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

Structure for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

3D Structure for HMDB0062708 (5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide(2-))

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra