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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 14:58:16 UTC

HMDB ID

HMDB0001439

Secondary Accession Numbers

HMDB01439

Metabolite Identification

Common Name

Phosphoribosyl formamidocarboxamide

Description

Phosphoribosyl formamidocarboxamide, also known as FAICAR, 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. Phosphoribosyl formamidocarboxamide exists in all living species, ranging from bacteria to plants to humans. In humans, phosphoribosyl formamidocarboxamide is involved in the metabolic disorder called the gout or kelley-seegmiller syndrome pathway. Phosphoribosyl formamidocarboxamide has been detected, but not quantified in, several different foods, such as yams (Dioscorea), sea-buckthornberries (Hippophae rhamnoides), vanillas (Vanilla), evergreen huckleberries (Vaccinium ovatum), and jew's ears (Auricularia auricula-judae). This could make phosphoribosyl formamidocarboxamide a potential biomarker for the consumption of these foods. Phosphoribosyl formamidocarboxamide is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on Phosphoribosyl formamidocarboxamide.

Structure

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

HMDB0001439
     RDKit          3D
Phosphoribosyl formamidocarboxamide
 39 40  0  0  0  0  0  0  0  0999 V2000
    6.1903   -0.6282   -0.9376 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0201    0.0877   -0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2005    1.2431   -0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7611   -0.5960   -0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5436   -1.8701   -0.9163 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626   -2.1572   -0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025   -1.0580   -0.2674 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146   -1.1606   -0.0284 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6210   -0.3157   -0.7426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694   -0.7792   -0.3297 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0036    0.1037   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040    1.3681   -0.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0229    2.4468   -0.7111 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5470    3.1807   -1.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4732    1.6224   -1.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3207    3.5835    0.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356   -0.7244    1.1848 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5947   -1.6658    1.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -1.1086    1.3705 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2834   -2.4061    1.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -0.1007   -0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    1.1622    0.4767 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2877    1.9898    0.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    1.9363    0.7471 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1512   -0.3668   -0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124   -1.4338   -1.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455   -3.1220   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633   -2.1955   -0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820   -1.8264   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502    0.1724   -1.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9568   -0.3251   -0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4463    1.2633   -1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1419    3.4209    0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9666    0.2895    1.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -1.4960    2.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1819   -0.3918    2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280   -2.7806    1.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054    1.6598    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5855    2.9788    1.3451 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  1  0
 23 24  2  0
 21  4  2  0
 19  8  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  8 28  1  6
 10 29  1  1
 11 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  1
 18 35  1  0
 19 36  1  1
 20 37  1  0
 22 38  1  0
 23 39  1  0
M  END


  Mrv0541 02231219082D          

 24 25  0  0  1  0            999 V2000
    0.7304    0.2422    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -0.4844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5592    0.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806    1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5072   -0.0037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0946   -1.2716    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8128    1.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0437   -0.4239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1429    1.5062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1694   -0.4844    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9196   -1.2716    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3898   -1.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    1.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7069   -1.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528   -0.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4079   -1.9377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055    0.7380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589    2.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950   -1.8393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1193    0.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9444    0.5790    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7694    0.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9444    1.4040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9520   -0.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  6  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
 10 15  1  1  0  0  0
 11 16  1  6  0  0  0
 13 17  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  2  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001439

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=O)C1=C(NC=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

> <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)/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
ABCOOORLYAOBOZ-KQYNXXCUSA-N

> <FORMULA>
C10H15N4O9P

> <MOLECULAR_WEIGHT>
366.2213

> <EXACT_MASS>
366.05766461

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
30.517327817160112

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.83

> <JCHEM_LOGP>
-4.055197561194165

> <ALOGPS_LOGS>
-2.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.681798851252253

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2092767239597313

> <JCHEM_PKA_STRONGEST_BASIC>
6.250636913328091

> <JCHEM_POLAR_SURFACE_AREA>
206.45999999999995

> <JCHEM_REFRACTIVITY>
74.8142

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.14e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0001439
     RDKit          3D
Phosphoribosyl formamidocarboxamide
 39 40  0  0  0  0  0  0  0  0999 V2000
    6.1903   -0.6282   -0.9376 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0201    0.0877   -0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2005    1.2431   -0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7611   -0.5960   -0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5436   -1.8701   -0.9163 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626   -2.1572   -0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025   -1.0580   -0.2674 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146   -1.1606   -0.0284 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6210   -0.3157   -0.7426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694   -0.7792   -0.3297 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0036    0.1037   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040    1.3681   -0.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0229    2.4468   -0.7111 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5470    3.1807   -1.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4732    1.6224   -1.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3207    3.5835    0.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356   -0.7244    1.1848 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5947   -1.6658    1.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -1.1086    1.3705 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2834   -2.4061    1.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -0.1007   -0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    1.1622    0.4767 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2877    1.9898    0.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    1.9363    0.7471 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1512   -0.3668   -0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124   -1.4338   -1.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455   -3.1220   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633   -2.1955   -0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820   -1.8264   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502    0.1724   -1.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9568   -0.3251   -0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4463    1.2633   -1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1419    3.4209    0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9666    0.2895    1.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -1.4960    2.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1819   -0.3918    2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280   -2.7806    1.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054    1.6598    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5855    2.9788    1.3451 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  1  0
 23 24  2  0
 21  4  2  0
 19  8  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  8 28  1  6
 10 29  1  1
 11 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  1
 18 35  1  0
 19 36  1  1
 20 37  1  0
 22 38  1  0
 23 39  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       1.363   0.452   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       0.304  -0.904   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.911   0.452   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.897   1.922   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.947  -0.007   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.177  -2.374   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.384   1.922   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       3.815  -0.791   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       2.133   2.812   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -2.183  -0.904   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.717  -2.374   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       0.728  -3.617   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.839   2.402   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.186  -2.197   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.645  -0.424   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -2.628  -3.617   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0       5.984   1.378   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0       5.150   3.907   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       4.097  -3.433   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -3.956   1.081   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0      -5.496   1.081   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0      -7.036   1.081   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -5.496   2.621   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -5.510  -0.452   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10                                                       
CONECT    6    2   11   12                                                  
CONECT    7    3   13    9                                                  
CONECT    8    3   14                                                       
CONECT    9    4    7                                                       
CONECT   10    5   15   11                                                  
CONECT   11    6   16   10                                                  
CONECT   12    6                                                            
CONECT   13    7   17   18                                                  
CONECT   14    8   19                                                       
CONECT   15   10   20                                                       
CONECT   16   11                                                            
CONECT   17   13                                                            
CONECT   18   13                                                            
CONECT   19   14                                                            
CONECT   20   15   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   21                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0001439
HETATM    1  N1  UNL     1       6.190  -0.628  -0.938  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.020   0.088  -0.481  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.200   1.243  -0.121  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.761  -0.596  -0.485  1.00  0.00           C  
HETATM    5  N2  UNL     1       3.544  -1.870  -0.916  1.00  0.00           N  
HETATM    6  C3  UNL     1       2.263  -2.157  -0.792  1.00  0.00           C  
HETATM    7  N3  UNL     1       1.602  -1.058  -0.267  1.00  0.00           N  
HETATM    8  C4  UNL     1       0.215  -1.161  -0.028  1.00  0.00           C  
HETATM    9  O2  UNL     1      -0.621  -0.316  -0.743  1.00  0.00           O  
HETATM   10  C5  UNL     1      -1.869  -0.779  -0.330  1.00  0.00           C  
HETATM   11  C6  UNL     1      -3.004   0.104  -0.791  1.00  0.00           C  
HETATM   12  O3  UNL     1      -2.804   1.368  -0.257  1.00  0.00           O  
HETATM   13  P1  UNL     1      -4.023   2.447  -0.711  1.00  0.00           P  
HETATM   14  O4  UNL     1      -3.547   3.181  -1.961  1.00  0.00           O  
HETATM   15  O5  UNL     1      -5.473   1.622  -1.033  1.00  0.00           O  
HETATM   16  O6  UNL     1      -4.321   3.583   0.480  1.00  0.00           O  
HETATM   17  C7  UNL     1      -1.736  -0.724   1.185  1.00  0.00           C  
HETATM   18  O7  UNL     1      -2.595  -1.666   1.768  1.00  0.00           O  
HETATM   19  C8  UNL     1      -0.269  -1.109   1.370  1.00  0.00           C  
HETATM   20  O8  UNL     1      -0.283  -2.406   1.907  1.00  0.00           O  
HETATM   21  C9  UNL     1       2.508  -0.101  -0.077  1.00  0.00           C  
HETATM   22  N4  UNL     1       2.340   1.162   0.477  1.00  0.00           N  
HETATM   23  C10 UNL     1       1.288   1.990   0.836  1.00  0.00           C  
HETATM   24  O9  UNL     1       0.065   1.936   0.747  1.00  0.00           O  
HETATM   25  H1  UNL     1       7.151  -0.367  -0.627  1.00  0.00           H  
HETATM   26  H2  UNL     1       6.112  -1.434  -1.596  1.00  0.00           H  
HETATM   27  H3  UNL     1       1.845  -3.122  -1.074  1.00  0.00           H  
HETATM   28  H4  UNL     1      -0.163  -2.195  -0.396  1.00  0.00           H  
HETATM   29  H5  UNL     1      -1.982  -1.826  -0.667  1.00  0.00           H  
HETATM   30  H6  UNL     1      -3.050   0.172  -1.891  1.00  0.00           H  
HETATM   31  H7  UNL     1      -3.957  -0.325  -0.421  1.00  0.00           H  
HETATM   32  H8  UNL     1      -5.446   1.263  -1.955  1.00  0.00           H  
HETATM   33  H9  UNL     1      -5.142   3.421   0.986  1.00  0.00           H  
HETATM   34  H10 UNL     1      -1.967   0.289   1.547  1.00  0.00           H  
HETATM   35  H11 UNL     1      -2.554  -1.496   2.742  1.00  0.00           H  
HETATM   36  H12 UNL     1       0.182  -0.392   2.046  1.00  0.00           H  
HETATM   37  H13 UNL     1       0.628  -2.781   1.839  1.00  0.00           H  
HETATM   38  H14 UNL     1       3.305   1.660   0.768  1.00  0.00           H  
HETATM   39  H15 UNL     1       1.585   2.979   1.345  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   38
CONECT   23   24   24   39
END

HMDB0001439
     RDKit          3D
Phosphoribosyl formamidocarboxamide
 39 40  0  0  0  0  0  0  0  0999 V2000
    6.1903   -0.6282   -0.9376 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0201    0.0877   -0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2005    1.2431   -0.1208 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7611   -0.5960   -0.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5436   -1.8701   -0.9163 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2626   -2.1572   -0.7924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6025   -1.0580   -0.2674 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2146   -1.1606   -0.0284 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6210   -0.3157   -0.7426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8694   -0.7792   -0.3297 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0036    0.1037   -0.7907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040    1.3681   -0.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0229    2.4468   -0.7111 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5470    3.1807   -1.9610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4732    1.6224   -1.0329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3207    3.5835    0.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7356   -0.7244    1.1848 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5947   -1.6658    1.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -1.1086    1.3705 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2834   -2.4061    1.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5076   -0.1007   -0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    1.1622    0.4767 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2877    1.9898    0.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0654    1.9363    0.7471 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1512   -0.3668   -0.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1124   -1.4338   -1.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8455   -3.1220   -1.0740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633   -2.1955   -0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820   -1.8264   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502    0.1724   -1.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9568   -0.3251   -0.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4463    1.2633   -1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1419    3.4209    0.9862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9666    0.2895    1.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5536   -1.4960    2.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1819   -0.3918    2.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6280   -2.7806    1.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054    1.6598    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5855    2.9788    1.3451 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  1  0
 23 24  2  0
 21  4  2  0
 19  8  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  8 28  1  6
 10 29  1  1
 11 30  1  0
 11 31  1  0
 15 32  1  0
 16 33  1  0
 17 34  1  1
 18 35  1  0
 19 36  1  1
 20 37  1  0
 22 38  1  0
 23 39  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide	ChEBI
5'-Phosphoribosyl-5-formamido-4-imidazolecarboxamide	ChEBI
5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide	ChEBI
FAICAR	ChEBI
5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide	Kegg
5'-P-Ribosyl-5-formamido-4-imidazole carboxamide	HMDB
5'-Phosphoribosyl-5-formamido-4-imidazole carboxamide	HMDB
5-amino-1-(5-phospho-D-Ribosyl)imidazole-4-carboxamide	HMDB
5-formamido-1-(5-Phosphoribosyl)-imidazole-4-carboxamide	HMDB
5-Phosphoribosyl-5-formamido-4-imid-carboxamide	HMDB
Phosphoribosyl-formamido-carboxamide	HMDB
5-Formamidoimidazole-4-carboxamide ribotide	MeSH, HMDB
5-(Formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide	HMDB
5-(Formylamino)-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazole-4-carboxamide	HMDB
5-Formylamino-4-imidazolecarboxamide ribonucleotide	HMDB

Chemical Formula

C₁₀H₁₅N₄O₉P

Average Molecular Weight

366.2213

Monoisotopic Molecular Weight

366.05766461

IUPAC Name

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

Traditional Name

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

CAS Registry Number

13018-54-7

SMILES

NC(=O)C1=C(NC=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

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)/t4-,6-,7-,10-/m1/s1

InChI Key

ABCOOORLYAOBOZ-KQYNXXCUSA-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

1-(phosphoribosyl)imidazolecarboxamide (CHEBI:18381 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0001439)

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

Caprae

Domestic goat (FooDB: FOOD00529)

Venison

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

Lagomorph

Bovine

Swine

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

Equine

Horse (FooDB: FOOD00378)

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Vegetable

Shoot vegetable

Fruit vegetable

Eggplant (FooDB: FOOD00174)
Avocado (FooDB: FOOD00130)
Groundcherry (FooDB: FOOD00371)
Olive (FooDB: FOOD00121)
Pepper (FooDB: FOOD00040)
Garden tomato (FooDB: FOOD00171)
Mexican groundcherry (FooDB: FOOD00491)
Yellow bell pepper (FooDB: FOOD00878)
Green bell pepper (FooDB: FOOD00877)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Garden tomato (var.) (FooDB: FOOD00173)
Cherry tomato (FooDB: FOOD00172)
Pepper (Capsicum) (FooDB: FOOD00233)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. frutescens) (FooDB: FOOD00428)
Pepper (C. pubescens) (FooDB: FOOD00849)
Orange bell pepper (FooDB: FOOD00879)

Root vegetable

Cabbage

Leaf vegetable

Lettuce (FooDB: FOOD00095)
Swiss chard (FooDB: FOOD00237)
Garden cress (FooDB: FOOD00099)
Endive (FooDB: FOOD00048)
Spinach (FooDB: FOOD00178)
Common beet (FooDB: FOOD00025)
Garland chrysanthemum (FooDB: FOOD00333)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
New Zealand spinach (FooDB: FOOD00415)
Swamp cabbage (FooDB: FOOD00091)
Rocket salad (ssp.) (FooDB: FOOD00077)
Yautia (FooDB: FOOD00510)
Romaine lettuce (FooDB: FOOD00888)
Rocket salad (FooDB: FOOD00244)
Chicory leaves (FooDB: FOOD00250)
Corn salad (FooDB: FOOD00340)
Malabar spinach (FooDB: FOOD00404)
Ostrich fern (FooDB: FOOD00556)
Green vegetables (FooDB: FOOD00872)

Mushroom

Tuber

Onion-family vegetable

Leek (FooDB: FOOD00007)
Allium (FooDB: FOOD00005)
Wild leek (FooDB: FOOD00396)
Shallot (FooDB: FOOD00243)
Garden onion (FooDB: FOOD00006)
Garden onion (var.) (FooDB: FOOD00226)
Onion-family vegetables (FooDB: FOOD00855)
Green onion (FooDB: FOOD00963)
Red onion (FooDB: FOOD00962)

Other vegetable

Okra (FooDB: FOOD00420)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Tree fern (FooDB: FOOD00797)
Chinese water chestnut (FooDB: FOOD00332)
Nopal (FooDB: FOOD00416)
Carob (FooDB: FOOD00321)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Giant butterbur (FooDB: FOOD00314)
Sesbania flower (FooDB: FOOD00469)

Stalk vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Fruit

Pome

Drupe

Apricot (FooDB: FOOD00144)
Prunus (Cherry, Plum) (FooDB: FOOD00143)
Nectarine (FooDB: FOOD00229)
Peach (FooDB: FOOD00149)
European plum (FooDB: FOOD00147)
Sour cherry (FooDB: FOOD00146)
Sweet cherry (FooDB: FOOD00145)
Common chokecherry (FooDB: FOOD00562)
Peach (var.) (FooDB: FOOD00230)

Tropical fruit

Berry

Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)
Bilberry (FooDB: FOOD00193)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Elderberry (FooDB: FOOD00358)
Loganberry (FooDB: FOOD00400)
Gooseberry (FooDB: FOOD00157)
Grape (FooDB: FOOD00369)
Lingonberry (FooDB: FOOD00194)
Strawberry (FooDB: FOOD00083)
Boysenberry (FooDB: FOOD00542)
American cranberry (FooDB: FOOD00192)
Strawberry guava (FooDB: FOOD00482)
Common grape (FooDB: FOOD00204)
Black mulberry (FooDB: FOOD00117)
Red raspberry (FooDB: FOOD00162)
Muscadine grape (FooDB: FOOD00203)
Salmonberry (FooDB: FOOD00456)
Alaska blueberry (FooDB: FOOD00380)
Sea-buckthornberry (FooDB: FOOD00087)
Black elderberry (FooDB: FOOD00166)
Black crowberry (FooDB: FOOD00075)
Black huckleberry (FooDB: FOOD00084)
Mulberry (FooDB: FOOD00116)
Black chokeberry (FooDB: FOOD00136)
Cloudberry (FooDB: FOOD00161)
Black raspberry (FooDB: FOOD00163)
Highbush blueberry (FooDB: FOOD00191)
Rowanberry (FooDB: FOOD00176)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Elliott's blueberry (FooDB: FOOD00210)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Bog bilberry (FooDB: FOOD00212)
Canada blueberry (FooDB: FOOD00211)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Cascade huckleberry (FooDB: FOOD00220)
Deerberry (FooDB: FOOD00218)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Skunk currant (FooDB: FOOD00267)
Sweet rowanberry (FooDB: FOOD00265)
Squashberry (FooDB: FOOD00344)
Ohelo berry (FooDB: FOOD00419)
Chinese bayberry (FooDB: FOOD00852)
Nanking cherry (FooDB: FOOD00885)
Saskatoon berry (FooDB: FOOD00884)

Other fruit

Date (FooDB: FOOD00135)
Fig (FooDB: FOOD00081)
Jujube (FooDB: FOOD00388)

Citrus

Lemon (FooDB: FOOD00054)
Grapefruit (FooDB: FOOD00256)
Lime (FooDB: FOOD00053)
Sweet orange (FooDB: FOOD00057)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Persian lime (FooDB: FOOD00543)
Pummelo (FooDB: FOOD00055)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Citrus (FooDB: FOOD00859)

Fruits (FooDB: FOOD00871)

Herbs and Spices (FooDB: FOOD00866)

Nut

Almond (FooDB: FOOD00148)
Brazil nut (FooDB: FOOD00024)
Cashew nut (FooDB: FOOD00011)
Chestnut (FooDB: FOOD00045)
Hazelnut (FooDB: FOOD00376)
Peanut (FooDB: FOOD00016)
Pecan nut (FooDB: FOOD00044)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Walnut (FooDB: FOOD00608)
Pili nut (FooDB: FOOD00432)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
European chestnut (FooDB: FOOD00363)
Hickory nut (FooDB: FOOD00377)
Acorn (FooDB: FOOD00282)
Chinese chestnut (FooDB: FOOD00331)
Macadamia nut (FooDB: FOOD00525)
Mixed nuts (FooDB: FOOD00771)
Common walnut (FooDB: FOOD00094)
Colorado pinyon (FooDB: FOOD00433)
Black walnut (FooDB: FOOD00093)
Japanese chestnut (FooDB: FOOD00385)
Common hazelnut (FooDB: FOOD00062)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Nuts (FooDB: FOOD00869)

Cereal and cereal product

Cereal

Other bread

Other bread (FooDB: FOOD00269)

Cereal product

Dough

Sourdough (FooDB: FOOD00275)

Cereals and cereal products (FooDB: FOOD00858)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Other soy product (FooDB: FOOD00271)

Pulse

Bean

Lentil

Lentils (FooDB: FOOD00098)

Pea

Other pulse

White lupine (FooDB: FOOD00403)
Lupine (FooDB: FOOD00104)

Pulses (FooDB: FOOD00867)

Abalone (FooDB: FOOD00279)
Conch (FooDB: FOOD00611)

Gourd

Chayote (FooDB: FOOD00325)
Cucumber (FooDB: FOOD00065)
Muskmelon (FooDB: FOOD00064)
Cucurbita (FooDB: FOOD00066)
Watermelon (FooDB: FOOD00052)
Bitter gourd (FooDB: FOOD00115)
Towel gourd (FooDB: FOOD00492)
Calabash (FooDB: FOOD00318)
Butternut squash (FooDB: FOOD00317)
Winter squash (FooDB: FOOD00283)
Wax gourd (FooDB: FOOD00499)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)

Tea

Herbal tea

Greenthread tea (FooDB: FOOD00820)

Cocoa and cocoa product

Cocoa

Cocoa bean (FooDB: FOOD00182)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Purine Metabolism (HMDB: HMDB0001439)
Purine Nucleotides De Novo Biosynthesis (PathBank: SMP0000927)
One Carbon Pool by Folate (PathBank: SMP0001750)
Purine Nucleotides De Novo Biosynthesis 2 (PathBank: SMP0002047)
One Carbon Pool by Folate I (PathBank: SMP0002369)
Purine Nucleotides De Novo Biosynthesis (PathBank: SMP0002377)

Disease pathway

Xanthinuria Type I (PathBank: SMP0120577)
Adenosine Deaminase Deficiency (PathBank: SMP0000144)
Adenylosuccinate Lyase Deficiency (PathBank: SMP0000167)
Gout or Kelley-Seegmiller Syndrome (PathBank: SMP0000365)
Lesch-Nyhan Syndrome (LNS) (PathBank: SMP0000364)
Molybdenum Cofactor Deficiency (PathBank: SMP0000203)
Xanthine Dehydrogenase Deficiency (Xanthinuria) (PathBank: SMP0000220)
Purine Nucleoside Phosphorylase Deficiency (PathBank: SMP0000210)
AICA-Ribosiduria (PathBank: SMP0000168)
Xanthinuria Type II (PathBank: SMP0000513)
Adenine Phosphoribosyltransferase Deficiency (APRT) (PathBank: SMP0000535)
Mitochondrial DNA Depletion Syndrome (PathBank: SMP0000536)
Myoadenylate Deaminase Deficiency (PathBank: SMP0000537)
Mitochondrial DNA Depletion Syndrome (PathBank: SMP0120601)

Drug action pathway

Azathioprine Action Pathway (PathBank: SMP0000427)
Mercaptopurine Action Pathway (PathBank: SMP0000428)
Thioguanine Action Pathway (PathBank: SMP0000430)

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	2.14 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-4.1	ChemAxon
logS	-2.2	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	30.52 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
DarkChem	[M+H]+	181.869	31661259
DarkChem	[M+H]+	181.869	31661259
DarkChem	[M-H]-	175.879	31661259
DarkChem	[M-H]-	175.879	31661259
AllCCS	[M+H]+	177.051	32859911
AllCCS	[M-H]-	172.574	32859911
DeepCCS	[M+H]+	165.308	30932474
DeepCCS	[M-H]-	162.912	30932474
DeepCCS	[M-2H]-	196.485	30932474
DeepCCS	[M+Na]+	172.133	30932474
AllCCS	[M+H]+	177.1	32859911
AllCCS	[M+H-H2O]+	174.3	32859911
AllCCS	[M+NH4]+	179.6	32859911
AllCCS	[M+Na]+	180.4	32859911
AllCCS	[M-H]-	172.6	32859911
AllCCS	[M+Na-2H]-	172.2	32859911
AllCCS	[M+HCOO]-	172.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Phosphoribosyl formamidocarboxamide	NC(=O)C1=C(NC=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	4121.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide	NC(=O)C1=C(NC=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	2648.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide	NC(=O)C1=C(NC=O)N(C=N1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	3412.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Phosphoribosyl formamidocarboxamide,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	3105.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	3091.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@H](O)[C@@H]1O	3221.9	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,1TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	3168.9	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,1TMS,isomer #5	C[Si](C)(C)N(C=O)C1=C(C(N)=O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3090.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C	3021.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #10	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O	3082.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #11	C[Si](C)(C)N(C(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C	3253.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #12	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	3032.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	3129.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #3	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	3067.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	2975.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	3129.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #6	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	3055.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C	2957.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #8	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3191.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	3182.9	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C	3063.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C	2916.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C	5106.8	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #10	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	3086.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #10	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	3016.4	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #10	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	5009.5	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C	3005.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C	2930.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C	5035.6	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1NC=O	3112.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1NC=O	3166.4	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1NC=O	5319.5	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #13	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	2939.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #13	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	3088.4	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #13	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	5242.5	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #14	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	3153.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #14	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	2993.8	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #14	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	4812.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #15	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3070.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #15	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2935.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #15	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4891.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #16	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O	3249.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #16	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O	3079.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #16	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O	4988.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #17	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	3059.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #17	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	3007.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #17	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	4928.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #18	C[Si](C)(C)N(C=O)C1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3078.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #18	C[Si](C)(C)N(C=O)C1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3216.8	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #18	C[Si](C)(C)N(C=O)C1=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	5153.8	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	3000.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	3058.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	5364.7	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2910.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2971.5	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	5359.6	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	3119.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	2909.3	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	4883.8	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #5	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	3086.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #5	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	3005.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #5	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	4991.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	3017.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	2927.4	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	5019.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O	3125.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O	3151.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O	5307.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #8	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	2957.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #8	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	3080.5	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #8	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	5232.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	3124.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	2918.9	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	4907.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C	3093.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C	2867.4	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C	4714.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	3029.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	3147.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	4736.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #11	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	3119.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #11	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	2967.5	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #11	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	4516.7	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C	3035.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C	2870.7	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C	4623.8	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1NC=O	3169.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1NC=O	3065.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1NC=O	4673.6	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #14	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	3019.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #14	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	2964.3	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #14	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	4621.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=O)[Si](C)(C)C	3015.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=O)[Si](C)(C)C	3156.8	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=O)[Si](C)(C)C	4750.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #16	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3230.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #16	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3034.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #16	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4477.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #17	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	3075.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #17	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	2947.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #17	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	4423.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O	3111.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O	3071.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O	4499.7	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	3062.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	2986.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	4737.5	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2979.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2883.5	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4824.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C	3084.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C	3123.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C	4956.7	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #5	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	2918.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #5	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	3038.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #5	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	4902.6	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #6	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	3115.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #6	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	2953.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #6	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	4484.8	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	3045.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	2868.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	4603.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O	3174.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O	3052.5	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O	4654.7	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	3033.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	2959.3	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TMS,isomer #9	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	4603.6	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #1	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	3108.9	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #1	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	2939.7	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #1	C[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	4267.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #10	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	3057.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #10	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	2908.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #10	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	4161.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=O)[Si](C)(C)C	3079.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=O)[Si](C)(C)C	3016.4	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=O)[Si](C)(C)C	4185.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3124.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2997.7	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #12	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4037.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3011.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2810.4	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4478.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C	3157.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C	3029.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C	4398.7	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	3014.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	2930.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #4	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	4346.8	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3010.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3091.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4387.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O	3191.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O	2998.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O	4181.4	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #7	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	3067.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #7	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	2903.9	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #7	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	4129.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	3092.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	3012.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	4167.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1NC=O	3185.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1NC=O	3008.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,5TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1NC=O	4216.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C	3186.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C	2976.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C	3997.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	3067.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	2870.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #2	C[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=N1	3944.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3081.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2980.8	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3931.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	3128.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	2952.7	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O	3770.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=O)[Si](C)(C)C	3116.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=O)[Si](C)(C)C	2955.4	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,6TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=O)[Si](C)(C)C	3802.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,7TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3149.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,7TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2921.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,7TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C)[Si](C)(C)C)=C2N(C=O)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3622.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	3376.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	3368.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@H](O)[C@@H]1O	3460.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	3410.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C=O)C1=C(C(N)=O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3332.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3498.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	3514.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1)[Si](C)(C)C(C)(C)C	3672.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	3465.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	3603.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	3533.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	3444.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	3598.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3524.9	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C(C)(C)C	3431.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3658.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	3628.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3742.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3434.8	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	5131.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3752.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3507.5	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	5039.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C(C)(C)C	3647.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C(C)(C)C	3423.7	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C(C)(C)C	5085.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1NC=O	3781.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1NC=O	3662.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1NC=O	5194.5	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3593.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3561.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	5192.5	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	3810.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	3426.9	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	4900.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3698.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3367.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4960.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O	3884.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O	3571.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O	4981.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	3663.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	3475.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	4976.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C=O)C1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3708.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C=O)C1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3664.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C=O)C1=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	5044.4	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3645.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3553.8	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	5282.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3576.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3478.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	5364.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	3795.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	3381.5	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O	4940.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	3760.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	3493.5	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	5021.5	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	3655.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	3419.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	5068.5	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@@H]1O	3791.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@@H]1O	3650.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@@H]1O	5179.7	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	3601.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	3553.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	5180.1	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	3792.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	3394.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1NC=O	4964.7	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3919.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3475.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	4800.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	3858.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	3773.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4683.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3916.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3561.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	4660.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C(C)(C)C	3825.0	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C(C)(C)C	3438.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(N)=O)=C1N(C=O)[Si](C)(C)C(C)(C)C	4749.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1NC=O	3998.5	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1NC=O	3728.7	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1NC=O	4698.9	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3789.8	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3583.3	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	4702.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N(C=O)[Si](C)(C)C(C)(C)C	3848.9	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N(C=O)[Si](C)(C)C(C)(C)C	3776.7	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1N(C=O)[Si](C)(C)C(C)(C)C	4696.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4029.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3651.9	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4595.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	3810.9	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	3516.9	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=N1	4591.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	3891.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	3691.4	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	4548.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3873.2	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3622.1	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	4793.7	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3792.7	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3493.3	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4891.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3915.9	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	3786.5	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@@H]1O[Si](C)(C)C(C)(C)C	4877.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3746.1	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	3657.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)C=N1	4886.2	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	3921.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	3549.7	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C1=C(NC=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	4630.0	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	3830.3	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	3437.0	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(N)=O)=C2N(C=O)[Si](C)(C)C(C)(C)C)[C@@H]1O	4729.3	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@@H]1O	4004.6	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@@H]1O	3719.6	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=NC(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C2NC=O)[C@@H]1O	4680.4	Standard polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	3798.4	Semi standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	3580.2	Standard non polar	33892256
Phosphoribosyl formamidocarboxamide,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C1=C(N(C=O)[Si](C)(C)C(C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=N1	4685.8	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Phosphoribosyl formamidocarboxamide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9725000000-466b9ed7af43597f7fff	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Phosphoribosyl formamidocarboxamide GC-MS (2 TMS) - 70eV, Positive	splash10-0002-9240300000-b9e749599e4fdfe0510a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Phosphoribosyl formamidocarboxamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Phosphoribosyl formamidocarboxamide 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 - Phosphoribosyl formamidocarboxamide 10V, Positive-QTOF	splash10-0ar0-0914000000-1d61e2aa1204766a006e	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 20V, Positive-QTOF	splash10-056r-0900000000-051245189eb5cd0ff26f	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 40V, Positive-QTOF	splash10-056r-1900000000-f18e08c70bdaa9aa6913	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 10V, Negative-QTOF	splash10-0gdj-8809000000-e71e875c5ef95845f25d	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 20V, Negative-QTOF	splash10-0fb9-9700000000-1930562d45d841bd928d	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 40V, Negative-QTOF	splash10-004i-9100000000-5b37e0fb5e34ee3423f0	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 10V, Negative-QTOF	splash10-016u-9007000000-60a18b9e82325eba8d6a	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 20V, Negative-QTOF	splash10-004i-9002000000-45c1e86e798b498a86e9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 40V, Negative-QTOF	splash10-004i-9000000000-681d7ff850cbe4448fe9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 10V, Positive-QTOF	splash10-000i-0819000000-600f59ce04e9f2036927	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 20V, Positive-QTOF	splash10-000j-1922000000-ab410f3897dc2f486680	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phosphoribosyl formamidocarboxamide 40V, Positive-QTOF	splash10-0bt9-4900000000-cd0a95ff69a87468beeb	2021-09-23	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

Cytoplasm (predicted from logP)

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Purine metabolism	Not Available
Adenosine Deaminase Deficiency		Not Available
Adenylosuccinate Lyase Deficiency		Not Available
Gout or Kelley-Seegmiller Syndrome		Not Available
Lesch-Nyhan Syndrome (LNS)		Not Available

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

FDB022622

KNApSAcK ID

Not Available

Chemspider ID

145893

KEGG Compound ID

C04734

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

166760

PDB ID

Not Available

ChEBI ID

18381

Food Biomarker Ontology

Not Available

VMH ID

FPRICA

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

Enzymes

Enzyme Details

1. Soluble calcium-activated nucleotidase 1

General function:: Involved in calcium ion binding
Specific function:: Calcium-dependent nucleotidase with a preference for UDP. The order of activity with different substrates is UDP > GDP > UTP > GTP. Has very low activity towards ADP and even lower activity towards ATP. Does not hydrolyze AMP and GMP. Involved in proteoglycan synthesis.
Gene Name:: CANT1
Uniprot ID:: Q8WVQ1
Molecular weight:: 44839.24

Enzyme Details

2. Inosine triphosphate pyrophosphatase

General function:: Involved in hydrolase activity
Specific function:: Pyrophosphatase that hydrolyzes the non-canonical purine nucleotides inosine triphosphate (ITP), deoxyinosine triphosphate (dITP) as well as 2'-deoxy-N-6-hydroxylaminopurine triposphate (dHAPTP) and xanthosine 5'-triphosphate (XTP) to their respective monophosphate derivatives. The enzyme does not distinguish between the deoxy- and ribose forms. Probably excludes non-canonical purines from RNA and DNA precursor pools, thus preventing their incorporation into RNA and DNA and avoiding chromosomal lesions.
Gene Name:: ITPA
Uniprot ID:: Q9BY32
Molecular weight:: 16833.23

Enzyme Details

3. Bifunctional purine biosynthesis protein PURH

General function:: Involved in IMP cyclohydrolase activity
Specific function:: Bifunctional enzyme that catalyzes 2 steps in purine biosynthesis.
Gene Name:: ATIC
Uniprot ID:: P31939
Molecular weight:: 64615.255

Reactions

10-Formyltetrahydrofolate + AICAR → Tetrahydrofolic acid + Phosphoribosyl formamidocarboxamide	details
Inosinic acid + Water → Phosphoribosyl formamidocarboxamide	details

Showing metabocard for Phosphoribosyl formamidocarboxamide (HMDB0001439)

MOL for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

3D MOL for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

3D SDF for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

3D-SDF for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

PDB for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

3D PDB for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

SMILES for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

INCHI for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

Structure for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

3D Structure for HMDB0001439 (Phosphoribosyl formamidocarboxamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions