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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1) Show 1 protein XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-05-22 20:52:31 UTC

Update Date

2021-09-14 15:47:19 UTC

HMDB ID

HMDB0006273

Secondary Accession Numbers

HMDB06273

Metabolite Identification

Common Name

5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid

Description

5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid, also known as 1-(5'-phosphoribosyl)-4-carboxy-5-aminoimidazole or 1-(5-phospho-D-ribosyl)-5-amino-4-imidazolecarboxylic acid, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is a very strong basic compound (based on its pKa). 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid exists in all living species, ranging from bacteria to humans. Within humans, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid participates in a number of enzymatic reactions. In particular, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid can be converted into 5-aminoimidazole ribonucleotide; which is mediated by the enzyme multifunctional protein ADE2. In addition, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid and L-aspartic acid can be converted into SAICAR; which is mediated by the enzyme multifunctional protein ADE2. In humans, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is involved in the metabolic disorder called Lesch-Nyhan syndrome (LNS). Outside of the human body, 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid has been detected, but not quantified in, several different foods, such as ohelo berries, Chinese mustards, peach (var.), jackfruits, and saskatoon berries. This could make 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid a potential biomarker for the consumption of these foods. 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is an intermediate in purine metabolism. 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid is converted from aminoimidazole ribotide via phosphoribosylaminoimidazole carboxylase (EC: 4.1.1.21).

Structure

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

HMDB0006273
     RDKit          3D
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid
 36 37  0  0  0  0  0  0  0  0999 V2000
    2.8364    1.6281    1.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0687    0.6231    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478    0.3787   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875    1.1387   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5295    2.0972    0.7474 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364    0.8450   -0.7687 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203   -0.6685   -1.0445 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7258   -1.0580   -0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454   -0.2632    0.0433 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976   -0.3845    0.4693 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0450   -0.8394   -0.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763   -0.8139    0.0858 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4313   -0.9935   -0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008   -0.9471   -0.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9854   -1.1407   -1.0497 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6882   -1.9756   -2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5212    0.3891   -1.5904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2257   -1.8134   -0.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227    0.6280    0.5684 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1604    0.8070    1.6422 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1465    0.8572    0.9375 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1961    0.9031    2.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944    2.6216    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    1.4805    2.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1233    1.5105   -1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180   -1.8938   -1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -1.1604    1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -1.4940    0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -2.0105   -1.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4644   -0.2369   -1.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4823    1.0475   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8439   -2.2539    0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170    1.2366   -0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3904   -0.0121    2.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4477    1.7799    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -0.0125    2.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 12 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9  2  1  0
 21 10  1  0
  1 23  1  0
  1 24  1  0
  6 25  1  0
  8 26  1  0
 10 27  1  1
 12 28  1  1
 13 29  1  0
 13 30  1  0
 17 31  1  0
 18 32  1  0
 19 33  1  6
 20 34  1  0
 21 35  1  6
 22 36  1  0
M  END


  Mrv1652309042000322D          

 22 23  0  0  0  0            999 V2000
10001.7525 9999.2289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10003.152210000.1468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.868710000.5597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.1522 9999.3209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.5881 9998.6981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.330910000.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7981 9998.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.615710000.1468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.900310000.5597    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
 9997.312410001.2761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.181210000.1447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.486610001.2761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.711410000.6408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.044010000.1558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.2989 9999.3712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.1239 9999.3712    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.378810000.1558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.770610000.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.438010000.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.183110001.3351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.358110001.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.103210000.5505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 18 22  1  0  0  0  0
 21 22  1  0  0  0  0
 16  5  1  6  0  0  0
 14  6  1  1  0  0  0
 15  7  1  6  0  0  0
  1 18  1  0  0  0  0
 17 22  1  1  0  0  0
 19  2  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006273

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1

> <INCHI_KEY>
XFVULMDJZXYMSG-ZIYNGMLESA-N

> <FORMULA>
C9H14N3O9P

> <MOLECULAR_WEIGHT>
339.1959

> <EXACT_MASS>
339.046765573

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
28.489435960826928

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid

> <ALOGPS_LOGP>
-2.05

> <JCHEM_LOGP>
-3.7317525536992675

> <ALOGPS_LOGS>
-2.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.25890510038018

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1825891616118538

> <JCHEM_PKA_STRONGEST_BASIC>
7.112770228283477

> <JCHEM_POLAR_SURFACE_AREA>
197.59

> <JCHEM_REFRACTIVITY>
67.3199

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.81e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazole-4-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006273
     RDKit          3D
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid
 36 37  0  0  0  0  0  0  0  0999 V2000
    2.8364    1.6281    1.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0687    0.6231    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478    0.3787   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875    1.1387   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5295    2.0972    0.7474 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364    0.8450   -0.7687 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203   -0.6685   -1.0445 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7258   -1.0580   -0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454   -0.2632    0.0433 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976   -0.3845    0.4693 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0450   -0.8394   -0.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763   -0.8139    0.0858 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4313   -0.9935   -0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008   -0.9471   -0.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9854   -1.1407   -1.0497 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6882   -1.9756   -2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5212    0.3891   -1.5904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2257   -1.8134   -0.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227    0.6280    0.5684 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1604    0.8070    1.6422 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1465    0.8572    0.9375 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1961    0.9031    2.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944    2.6216    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    1.4805    2.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1233    1.5105   -1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180   -1.8938   -1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -1.1604    1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -1.4940    0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -2.0105   -1.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4644   -0.2369   -1.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4823    1.0475   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8439   -2.2539    0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170    1.2366   -0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3904   -0.0121    2.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4477    1.7799    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -0.0125    2.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 12 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9  2  1  0
 21 10  1  0
  1 23  1  0
  1 24  1  0
  6 25  1  0
  8 26  1  0
 10 27  1  1
 12 28  1  1
 13 29  1  0
 13 30  1  0
 17 31  1  0
 18 32  1  0
 19 33  1  6
 20 34  1  0
 21 35  1  6
 22 36  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  N   UNK     0    8669.9388665.227   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0    8672.5518666.941   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8673.8888667.711   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8672.5518665.399   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8667.7648664.236   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0    8663.5518667.711   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    8664.4238664.252   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8662.2168666.941   0.000  0.00  0.00           O+0
HETATM    9  P   UNK     0    8660.8818667.711   0.000  0.00  0.00           P+0
HETATM   10  O   UNK     0    8661.6508669.049   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8659.5388666.937   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8660.1088669.049   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8666.1288667.863   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8664.8828666.957   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8665.3588665.493   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8666.8988665.493   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8667.3748666.957   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8669.9728666.789   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8671.2188667.694   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0    8670.7428669.159   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0    8669.2028669.159   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0    8668.7268667.694   0.000  0.00  0.00           N+0
CONECT    1   18                                                            
CONECT    2    3    4   19                                                  
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5   16                                                            
CONECT    6    8   14                                                       
CONECT    7   15                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11   12                                             
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    9                                                            
CONECT   13   14   17                                                       
CONECT   14   15   13    6                                                  
CONECT   15   14   16    7                                                  
CONECT   16   15   17    5                                                  
CONECT   17   16   13   22                                                  
CONECT   18   19   22    1                                                  
CONECT   19   18   20    2                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   18   21   17                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

COMPND    HMDB0006273
HETATM    1  N1  UNL     1       2.836   1.628   1.403  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.069   0.623   0.444  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.248   0.379  -0.231  1.00  0.00           C  
HETATM    4  C3  UNL     1       5.487   1.139  -0.063  1.00  0.00           C  
HETATM    5  O1  UNL     1       5.529   2.097   0.747  1.00  0.00           O  
HETATM    6  O2  UNL     1       6.636   0.845  -0.769  1.00  0.00           O  
HETATM    7  N2  UNL     1       4.020  -0.668  -1.044  1.00  0.00           N  
HETATM    8  C4  UNL     1       2.726  -1.058  -0.871  1.00  0.00           C  
HETATM    9  N3  UNL     1       2.145  -0.263   0.043  1.00  0.00           N  
HETATM   10  C5  UNL     1       0.798  -0.385   0.469  1.00  0.00           C  
HETATM   11  O3  UNL     1      -0.045  -0.839  -0.567  1.00  0.00           O  
HETATM   12  C6  UNL     1      -1.276  -0.814   0.086  1.00  0.00           C  
HETATM   13  C7  UNL     1      -2.431  -0.993  -0.867  1.00  0.00           C  
HETATM   14  O4  UNL     1      -3.601  -0.947  -0.075  1.00  0.00           O  
HETATM   15  P1  UNL     1      -4.985  -1.141  -1.050  1.00  0.00           P  
HETATM   16  O5  UNL     1      -4.688  -1.976  -2.266  1.00  0.00           O  
HETATM   17  O6  UNL     1      -5.521   0.389  -1.590  1.00  0.00           O  
HETATM   18  O7  UNL     1      -6.226  -1.813  -0.116  1.00  0.00           O  
HETATM   19  C8  UNL     1      -1.323   0.628   0.568  1.00  0.00           C  
HETATM   20  O8  UNL     1      -2.160   0.807   1.642  1.00  0.00           O  
HETATM   21  C9  UNL     1       0.147   0.857   0.938  1.00  0.00           C  
HETATM   22  O9  UNL     1       0.196   0.903   2.330  1.00  0.00           O  
HETATM   23  H1  UNL     1       2.594   2.622   1.114  1.00  0.00           H  
HETATM   24  H2  UNL     1       2.882   1.480   2.443  1.00  0.00           H  
HETATM   25  H3  UNL     1       7.123   1.510  -1.350  1.00  0.00           H  
HETATM   26  H4  UNL     1       2.318  -1.894  -1.431  1.00  0.00           H  
HETATM   27  H5  UNL     1       0.681  -1.160   1.281  1.00  0.00           H  
HETATM   28  H6  UNL     1      -1.345  -1.494   0.935  1.00  0.00           H  
HETATM   29  H7  UNL     1      -2.393  -2.010  -1.297  1.00  0.00           H  
HETATM   30  H8  UNL     1      -2.464  -0.237  -1.650  1.00  0.00           H  
HETATM   31  H9  UNL     1      -5.482   1.047  -0.855  1.00  0.00           H  
HETATM   32  H10 UNL     1      -5.844  -2.254   0.687  1.00  0.00           H  
HETATM   33  H11 UNL     1      -1.617   1.237  -0.307  1.00  0.00           H  
HETATM   34  H12 UNL     1      -2.390  -0.012   2.134  1.00  0.00           H  
HETATM   35  H13 UNL     1       0.448   1.780   0.449  1.00  0.00           H  
HETATM   36  H14 UNL     1      -0.091  -0.013   2.636  1.00  0.00           H  
CONECT    1    2   23   24
CONECT    2    3    3    9
CONECT    3    4    7
CONECT    4    5    5    6
CONECT    6   25
CONECT    7    8    8
CONECT    8    9   26
CONECT    9   10
CONECT   10   11   21   27
CONECT   11   12
CONECT   12   13   19   28
CONECT   13   14   29   30
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   31
CONECT   18   32
CONECT   19   20   21   33
CONECT   20   34
CONECT   21   22   35
CONECT   22   36
END

HMDB0006273
     RDKit          3D
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid
 36 37  0  0  0  0  0  0  0  0999 V2000
    2.8364    1.6281    1.4030 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0687    0.6231    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478    0.3787   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4875    1.1387   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5295    2.0972    0.7474 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6364    0.8450   -0.7687 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0203   -0.6685   -1.0445 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7258   -1.0580   -0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1454   -0.2632    0.0433 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7976   -0.3845    0.4693 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0450   -0.8394   -0.5667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2763   -0.8139    0.0858 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4313   -0.9935   -0.8667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6008   -0.9471   -0.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9854   -1.1407   -1.0497 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.6882   -1.9756   -2.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5212    0.3891   -1.5904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2257   -1.8134   -0.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3227    0.6280    0.5684 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1604    0.8070    1.6422 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1465    0.8572    0.9375 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1961    0.9031    2.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5944    2.6216    1.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8824    1.4805    2.4431 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1233    1.5105   -1.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180   -1.8938   -1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6807   -1.1604    1.2809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3449   -1.4940    0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931   -2.0105   -1.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4644   -0.2369   -1.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4823    1.0475   -0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8439   -2.2539    0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6170    1.2366   -0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3904   -0.0121    2.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4477    1.7799    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0914   -0.0125    2.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 12 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  9  2  1  0
 21 10  1  0
  1 23  1  0
  1 24  1  0
  6 25  1  0
  8 26  1  0
 10 27  1  1
 12 28  1  1
 13 29  1  0
 13 30  1  0
 17 31  1  0
 18 32  1  0
 19 33  1  6
 20 34  1  0
 21 35  1  6
 22 36  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole	ChEBI
1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole	ChEBI
1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate	ChEBI
1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate	ChEBI
5'-Phosphoribosyl-4-carboxy-5-aminoimidazole	ChEBI
5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate	ChEBI
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate	ChEBI
1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylic acid	Generator
1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylic acid	Generator
5'-Phosphoribosyl-5-amino-4-imidazolecarboxylic acid	Generator
5-amino-1-(5-phospho-D-Ribosyl)imidazole-4-carboxylic acid	Generator
4-Carboxy-5-aminoimidazole ribonucleotide	HMDB
5'Phosphoribosyl-4-carboxy-5-aminoimidazole	HMDB
5-Amino-4-carboxyimidazole ribonucleotide	HMDB
5-amino-4-Imidazolecarboxylic acid ribonucleotide	HMDB, MeSH
5-Aminoimidazole carboxilic acid ribonucleotice	HMDB
5-Aminoimidazole-4-carboxilic acid ribonucleotide	HMDB
Carboxyaminoimidazole ribonucleotide	HMDB
Carboxy-AIR	MeSH, HMDB
AICOR	MeSH, HMDB
Carboxyaminoimidazole ribotide	MeSH, HMDB
CAIR	MeSH, HMDB
5-Amino-1-(5-O-phosphonopentofuranosyl)-1H-imidazole-4-carboxylic acid	MeSH, HMDB
1-(5’-Phosphoribosyl)-4-carboxy-5-aminoimidazole	HMDB
1-(5’-Phosphoribosyl)-5-amino-4-carboxyimidazole	HMDB
1-(5’-Phosphoribosyl)-5-amino-4-imidazolecarboxylate	HMDB
5-Amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid	HMDB
5-Amino-1-(5-O-phosphono-β-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid	HMDB
5-Aminoimidazole 4-carboxylic acid ribonucleotide	HMDB
5-Aminoimidazolecarboxylic acid ribonucleotide	HMDB
5’-Phosphoribosyl-4-carboxy-5-aminoimidazole	HMDB
5’-Phosphoribosyl-5-amino-4-imidazolecarboxylate	HMDB

Chemical Formula

C₉H₁₄N₃O₉P

Average Molecular Weight

339.1959

Monoisotopic Molecular Weight

339.046765573

IUPAC Name

5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazole-4-carboxylic acid

Traditional Name

5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazole-4-carboxylic acid

CAS Registry Number

6001-14-5

SMILES

NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O

InChI Identifier

InChI=1S/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)/t3-,5-,6-,8-/m1/s1

InChI Key

XFVULMDJZXYMSG-ZIYNGMLESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
Imidazole ribonucleoside
N-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Monoalkyl phosphate
Imidazole-4-carbonyl group
Alkyl phosphate
Phosphoric acid ester
Aminoimidazole
Organic phosphoric acid derivative
N-substituted imidazole
Azole
Vinylogous amide
Tetrahydrofuran
Imidazole
Heteroaromatic compound
1,2-diol
Secondary alcohol
Amino acid
Amino acid or derivatives
Oxacycle
Carboxylic acid derivative
Carboxylic acid
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Amine
Organopnictogen compound
Organic oxide
Primary amine
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

1-(phosphoribosyl)imidazole (CHEBI:28413 )
aminoimidazole (CHEBI:28413 )
imidazole-4-carboxylic acid (CHEBI:28413 )

Ontology

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	2.81 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.7	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.18	ChemAxon
pKa (Strongest Basic)	7.11	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	197.59 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	67.32 m³·mol⁻¹	ChemAxon
Polarizability	28.49 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	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]+	174.707	31661259
DarkChem	[M-H]-	169.07	31661259
DeepCCS	[M+H]+	166.064	30932474
DeepCCS	[M-H]-	163.668	30932474
DeepCCS	[M-2H]-	197.833	30932474
DeepCCS	[M+Na]+	172.281	30932474
AllCCS	[M+H]+	172.4	32859911
AllCCS	[M+H-H2O]+	169.4	32859911
AllCCS	[M+NH4]+	175.1	32859911
AllCCS	[M+Na]+	175.9	32859911
AllCCS	[M-H]-	166.9	32859911
AllCCS	[M+Na-2H]-	166.7	32859911
AllCCS	[M+HCOO]-	166.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid	NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O	3676.6	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid	NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O	2557.0	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid	NC1=C(N=CN1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O	3112.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N)[C@@H]1O	2919.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,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(=O)O)=C1N	2898.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,1TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	2844.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,1TMS,isomer #4	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N)[C@H](O)[C@@H]1O	3039.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,1TMS,isomer #5	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3005.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=N1	2801.0	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #10	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3029.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #11	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3057.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #12	C[Si](C)(C)N(C1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	3007.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N)[C@@H]1O[Si](C)(C)C	2855.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,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)O)=C2N)[C@@H]1O	2989.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #4	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	2954.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=N1	2776.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #6	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)O)=C1N	2978.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #7	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	2947.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #8	C[Si](C)(C)OC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=N1	2935.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TMS,isomer #9	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	2916.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N)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	2712.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #10	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	2837.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #11	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)O)=C1N	2948.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #12	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2978.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1N1C=NC(C(=O)O)=C1N([Si](C)(C)C)[Si](C)(C)C	2919.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #14	C[Si](C)(C)OC(=O)C1=C(N)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	2930.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #15	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2957.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #16	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[Si](C)(C)C)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	2837.0	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #17	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3028.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #18	C[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O	3039.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1=C(N)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	2883.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #3	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	2846.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #4	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)O)=C2N)[C@@H]1O[Si](C)(C)C	2904.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #5	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2892.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,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)O)=C2N)[C@@H]1O	2957.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #7	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2978.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	2933.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TMS,isomer #9	C[Si](C)(C)OC(=O)C1=C(N)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	2866.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N)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	2828.0	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N)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	2745.2	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N)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	4496.0	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #10	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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	2994.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #10	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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	2905.4	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #10	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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	3944.1	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)C1=C(N)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	2889.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)C1=C(N)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	2732.3	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)C1=C(N)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	4315.6	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2927.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2829.7	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #12	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4339.5	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2816.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2934.1	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #13	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	4286.4	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2987.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2869.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #14	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3796.2	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #15	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)O)=C1N([Si](C)(C)C)[Si](C)(C)C	2985.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #15	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)O)=C1N([Si](C)(C)C)[Si](C)(C)C	2907.9	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #15	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)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3962.7	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2975.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	2814.8	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #16	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4149.9	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2915.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2867.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	4070.5	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3017.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	2906.4	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #18	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C	3787.1	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2796.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2879.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #2	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4595.6	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N)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	2897.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N)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	2714.8	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N)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	4295.6	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2933.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2825.7	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #4	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4312.6	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2832.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2932.1	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	4271.1	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,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)O)=C2N)[C@@H]1O[Si](C)(C)C	2910.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,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)O)=C2N)[C@@H]1O[Si](C)(C)C	2804.4	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,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)O)=C2N)[C@@H]1O[Si](C)(C)C	4208.4	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2951.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2871.0	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #7	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4008.9	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2897.0	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2958.0	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4214.0	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2985.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2864.9	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TMS,isomer #9	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3753.0	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N)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	2881.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N)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	2706.4	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N)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	4195.0	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2926.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2836.1	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	3754.0	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #11	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)O)=C1N([Si](C)(C)C)[Si](C)(C)C	2995.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #11	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)O)=C1N([Si](C)(C)C)[Si](C)(C)C	2850.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #11	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)O)=C1N([Si](C)(C)C)[Si](C)(C)C	3538.3	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2973.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2822.4	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	3628.9	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #2	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2917.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #2	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2818.2	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #2	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4097.9	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2825.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2901.1	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	3926.0	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #4	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2969.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #4	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2793.3	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #4	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3880.2	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2934.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2836.5	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	3735.8	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #6	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2967.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #6	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2846.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #6	C[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3568.9	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #7	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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2967.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #7	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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2861.9	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #7	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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3690.7	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #8	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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	2998.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #8	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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	2851.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #8	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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	3508.6	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #9	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2971.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #9	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2799.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,5TMS,isomer #9	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3921.3	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #1	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2970.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #1	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2783.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #1	C[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3741.4	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2952.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2810.5	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #2	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	3529.1	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2997.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2795.5	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	3383.9	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2994.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2807.7	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,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)O)=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3338.5	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2992.0	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2795.5	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	3415.4	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	3035.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	2779.9	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C)[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	3282.5	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,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(=O)O)=C2N)[C@@H]1O	3189.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,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(=O)O)=C1N	3168.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)N([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C=N1	3131.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N)[C@H](O)[C@@H]1O	3275.0	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3254.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3273.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3507.0	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3513.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3406.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C	3310.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,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(=O)O)=C2N)[C@@H]1O	3440.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3409.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3257.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #6	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)O)=C1N	3429.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3399.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3383.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3359.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3435.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3479.0	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #11	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(=O)O)=C1N	3627.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3642.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #13	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)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3555.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3593.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3607.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	3476.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O	3708.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O	3633.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3553.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3482.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #4	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)O)=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C	3546.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3524.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #6	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(=O)O)=C2N)[C@@H]1O	3638.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O	3646.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O	3568.7	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3538.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3719.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3413.8	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	4587.6	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #10	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)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O	3777.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #10	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)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O	3596.0	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #10	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)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O	4080.7	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3739.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3354.9	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	4453.7	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3774.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3488.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4430.7	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	3651.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	3640.1	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	4292.1	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3816.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3523.1	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	4033.0	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #15	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)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3767.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #15	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)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3595.2	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #15	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)O)=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4097.1	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[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]1O	3799.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[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]1O	3423.1	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[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]1O	4315.6	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	3721.5	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	3575.3	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	4163.2	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3794.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3545.1	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4008.8	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3666.2	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3542.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4604.9	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3756.4	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	3331.0	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N)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	4435.5	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[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]1O	3779.8	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[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]1O	3486.3	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O[Si](C)(C)C(C)(C)C)N=CN1[C@@H]1O[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]1O	4405.9	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	3657.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	3642.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1=C(N([Si](C)(C)C(C)(C)C)[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	4279.0	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #6	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(=O)O)=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C	3758.1	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #6	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(=O)O)=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C	3454.6	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #6	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(=O)O)=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C	4343.3	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3758.3	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	3566.3	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O[Si](C)(C)C(C)(C)C	4152.1	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3704.6	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3648.0	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](N2C=NC(C(=O)O)=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4254.4	Standard polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O	3819.9	Semi standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O	3517.9	Standard non polar	33892256
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=C(C(=O)O)N=CN1[C@@H]1O[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]1O	3996.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9613000000-2a087bcb710ee7b50b52	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid GC-MS (3 TMS) - 70eV, Positive	splash10-00lu-2923230000-25e41df497cf1b5c9281	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 10V, Positive-QTOF	splash10-004i-0914000000-87d6bac417ced888900f	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 20V, Positive-QTOF	splash10-01t9-1900000000-e298883e772e11c253f0	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 40V, Positive-QTOF	splash10-004i-8900000000-82583bffa17f1262d918	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 10V, Negative-QTOF	splash10-004r-8928000000-d296c2812c7b06149794	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 20V, Negative-QTOF	splash10-004i-9400000000-76793052d8d2699d70dd	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 40V, Negative-QTOF	splash10-004i-9000000000-a8b367167e97f6df3690	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 10V, Positive-QTOF	splash10-0006-0539000000-deee029059e464053ab9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 20V, Positive-QTOF	splash10-03di-2900000000-c7cafadad92d61fbb8a1	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 40V, Positive-QTOF	splash10-01u0-7900000000-97962f3ed9f96ac07b6a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 10V, Negative-QTOF	splash10-000i-3009000000-ff79299d0fd8156f9b05	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 20V, Negative-QTOF	splash10-004i-9000000000-a211e114c93b066eaf36	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid 40V, Negative-QTOF	splash10-004i-9100000000-bfdd206a6413421623ed	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm

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

FDB023871

KNApSAcK ID

Not Available

Chemspider ID

144983

KEGG Compound ID

C04751

BioCyc ID

PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE

BiGG ID

44477

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

165388

PDB ID

C2R

ChEBI ID

28413

Food Biomarker Ontology

Not Available

VMH ID

5AIZC

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. Multifunctional protein ADE2

General function:: Involved in phosphoribosylaminoimidazole carboxylase activity
Specific function:: Not Available
Gene Name:: PAICS
Uniprot ID:: P22234
Molecular weight:: 47078.82

Reactions

Adenosine triphosphate + 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid + L-Aspartic acid → ADP + Phosphate + SAICAR	details
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid → 5-Aminoimidazole ribonucleotide + CO(2)	details
5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid → 5-Aminoimidazole ribonucleotide + Carbon dioxide	details
Adenosine triphosphate + 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid + L-Aspartic acid → ADP + Phosphate + SAICAR	details

Showing metabocard for 5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid (HMDB0006273)

MOL for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

3D MOL for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

3D SDF for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

3D-SDF for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

PDB for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

3D PDB for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

SMILES for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

INCHI for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

Structure for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

3D Structure for HMDB0006273 (5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions