MiMeDB: Showing metabocard for GMP (MMDBc0031799)

Microbial

Animal

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:49:46 UTC

Update Date

2024-04-30 19:52:05 UTC

Metabolite ID

MMDBc0031799

Metabolite Identification

Common Name

GMP

Description

Guanosine monophosphate, also known as 5'-guanidylic acid or guanylic acid and abbreviated GMP, is a nucleotide that is used as a monomer in RNA. It is an ester of phosphoric acid with the nucleoside guanosine. GMP consists of the phosphate group, the pentose sugar ribose, and the nucleobase guanine; hence it is a ribonucleoside monophosphate.

Structure

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

HMDB0257693
     RDKit          3D
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihy...
 38 40  0  0  0  0  0  0  0  0999 V2000
   -4.5255    1.4354    2.3117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637    1.0675    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2415    1.0107    0.2045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0070    0.5751   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0679    0.5354   -1.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508    0.1795   -1.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1634   -0.3067   -2.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -0.5227   -2.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973   -0.1858   -0.9972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -0.2037   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.5141   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556   -0.4310   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -0.5942   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.6744    0.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6348    0.3815 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1243    1.9296   -0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    0.7195    2.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    0.6561   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327   -0.9370    0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -2.0405    1.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057   -1.1824    0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -0.9040    1.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7403    0.2529   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0131    0.6940    0.8028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945    1.4906    3.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5159    1.4378   -2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855   -0.9188   -2.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    0.8578   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.7746   -0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    0.1800   -1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.6033   -1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    1.6457    2.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498    0.5920   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -0.1068    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -2.4544    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -2.2064    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -1.6691    2.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    0.7863    1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  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 23  1  0
 23 24  1  0
 24  2  1  0
 23  6  2  0
 21 10  1  0
  1 25  1  0
  5 26  1  0
  8 27  1  0
 10 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 17 32  1  0
 18 33  1  0
 19 34  1  0
 20 35  1  0
 21 36  1  0
 22 37  1  0
 24 38  1  0
M  END


  Mrv1652305221920202D          

 24 26  0  0  0  0            999 V2000
   -1.8505   -3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -3.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0865   -2.8174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6411   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3984   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7845   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -0.0305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556   -1.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0701   -0.2854    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -1.3654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1435   -4.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -2.8174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9391   -4.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -3.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7867   -4.5317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6042   -3.3793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -2.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2716   -3.8642    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  6  1  0  0  0  0
 11 10  2  0  0  0  0
 12  2  2  0  0  0  0
 12  4  1  0  0  0  0
 13  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14  8  2  0  0  0  0
 14 10  1  0  0  0  0
 15  2  1  0  0  0  0
 15  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  1  0  0  0  0
 17  6  1  0  0  0  0
 18  8  1  0  0  0  0
 22  1  1  0  0  0  0
 23  3  1  0  0  0  0
 23  9  1  0  0  0  0
 24 19  1  0  0  0  0
 24 20  1  0  0  0  0
 24 21  2  0  0  0  0
 24 22  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0031799

> <DATABASE_NAME>
MIME

> <SMILES>
OC1C(COP(O)(O)=O)OC(C1O)N1C=NC2=C1NC(=N)N=C2O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)

> <INCHI_KEY>
RQFCJASXJCIDSX-UHFFFAOYSA-N

> <FORMULA>
C10H14N5O8P

> <MOLECULAR_WEIGHT>
363.2206

> <EXACT_MASS>
363.057998961

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
31.112634224690886

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-1.92

> <JCHEM_LOGP>
-3.6535056184614927

> <ALOGPS_LOGS>
-2.14

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.8572938808150425

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2168836442623872

> <JCHEM_PKA_STRONGEST_BASIC>
2.972673219316864

> <JCHEM_POLAR_SURFACE_AREA>
202.73999999999998

> <JCHEM_REFRACTIVITY>
86.07509999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.63e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3,4-dihydroxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257693
     RDKit          3D
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihy...
 38 40  0  0  0  0  0  0  0  0999 V2000
   -4.5255    1.4354    2.3117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637    1.0675    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2415    1.0107    0.2045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0070    0.5751   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0679    0.5354   -1.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508    0.1795   -1.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1634   -0.3067   -2.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -0.5227   -2.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973   -0.1858   -0.9972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -0.2037   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.5141   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556   -0.4310   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -0.5942   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.6744    0.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6348    0.3815 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1243    1.9296   -0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    0.7195    2.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    0.6561   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327   -0.9370    0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -2.0405    1.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057   -1.1824    0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -0.9040    1.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7403    0.2529   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0131    0.6940    0.8028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945    1.4906    3.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5159    1.4378   -2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855   -0.9188   -2.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    0.8578   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.7746   -0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    0.1800   -1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.6033   -1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    1.6457    2.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498    0.5920   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -0.1068    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -2.4544    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -2.2064    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -1.6691    2.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    0.7863    1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  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 23  1  0
 23 24  1  0
 24  2  1  0
 23  6  2  0
 21 10  1  0
  1 25  1  0
  5 26  1  0
  8 27  1  0
 10 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 17 32  1  0
 18 33  1  0
 19 34  1  0
 20 35  1  0
 21 36  1  0
 22 37  1  0
 24 38  1  0
M  END

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0      -3.454  -6.934   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.208  -6.029   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.744  -6.505   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.161  -5.259   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.744  -4.013   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       5.198  -2.843   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      -0.268  -0.057   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       2.530  -2.843   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       3.864  -0.533   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      -0.268  -2.549   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      -0.268  -7.970   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       1.701  -5.259   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       2.530   1.777   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -7.353  -8.118   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -7.012  -5.967   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.202  -8.459   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.861  -6.308   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -2.208  -4.489   0.000  0.00  0.00           O+0
HETATM   24  P   UNK     0      -6.107  -7.213   0.000  0.00  0.00           P+0
CONECT    1    3   22                                                       
CONECT    2   12   15                                                       
CONECT    3    1    5   23                                                  
CONECT    4    7    8   12                                                  
CONECT    5    3    6   16                                                  
CONECT    6    5    9   17                                                  
CONECT    7    4   13   15                                                  
CONECT    8    4   14   18                                                  
CONECT    9    6   15   23                                                  
CONECT   10   11   13   14                                                  
CONECT   11   10                                                            
CONECT   12    2    4                                                       
CONECT   13    7   10                                                       
CONECT   14    8   10                                                       
CONECT   15    2    7    9                                                  
CONECT   16    5                                                            
CONECT   17    6                                                            
CONECT   18    8                                                            
CONECT   19   24                                                            
CONECT   20   24                                                            
CONECT   21   24                                                            
CONECT   22    1   24                                                       
CONECT   23    3    9                                                       
CONECT   24   19   20   21   22                                             
MASTER        0    0    0    0    0    0    0    0   24    0   52    0
END

COMPND    HMDB0257693
HETATM    1  N1  UNL     1      -4.525   1.435   2.312  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.264   1.068   1.117  1.00  0.00           C  
HETATM    3  N2  UNL     1      -5.241   1.011   0.205  1.00  0.00           N  
HETATM    4  C2  UNL     1      -5.007   0.575  -1.041  1.00  0.00           C  
HETATM    5  O1  UNL     1      -6.068   0.535  -1.957  1.00  0.00           O  
HETATM    6  C3  UNL     1      -3.751   0.179  -1.396  1.00  0.00           C  
HETATM    7  N3  UNL     1      -3.163  -0.307  -2.504  1.00  0.00           N  
HETATM    8  C4  UNL     1      -1.877  -0.523  -2.258  1.00  0.00           C  
HETATM    9  N4  UNL     1      -1.597  -0.186  -0.997  1.00  0.00           N  
HETATM   10  C5  UNL     1      -0.319  -0.204  -0.391  1.00  0.00           C  
HETATM   11  O2  UNL     1       0.680  -0.514  -1.382  1.00  0.00           O  
HETATM   12  C6  UNL     1       1.756  -0.431  -0.607  1.00  0.00           C  
HETATM   13  C7  UNL     1       3.154  -0.594  -1.142  1.00  0.00           C  
HETATM   14  O3  UNL     1       3.902  -0.674   0.055  1.00  0.00           O  
HETATM   15  P1  UNL     1       4.850   0.635   0.382  1.00  0.00           P  
HETATM   16  O4  UNL     1       4.124   1.930  -0.076  1.00  0.00           O  
HETATM   17  O5  UNL     1       4.853   0.719   2.111  1.00  0.00           O  
HETATM   18  O6  UNL     1       6.377   0.656  -0.214  1.00  0.00           O  
HETATM   19  C8  UNL     1       1.533  -0.937   0.773  1.00  0.00           C  
HETATM   20  O7  UNL     1       2.232  -2.040   1.121  1.00  0.00           O  
HETATM   21  C9  UNL     1      -0.006  -1.182   0.681  1.00  0.00           C  
HETATM   22  O8  UNL     1      -0.545  -0.904   1.938  1.00  0.00           O  
HETATM   23  C10 UNL     1      -2.740   0.253  -0.429  1.00  0.00           C  
HETATM   24  N5  UNL     1      -3.013   0.694   0.803  1.00  0.00           N  
HETATM   25  H1  UNL     1      -3.794   1.491   3.025  1.00  0.00           H  
HETATM   26  H2  UNL     1      -6.516   1.438  -2.213  1.00  0.00           H  
HETATM   27  H3  UNL     1      -1.185  -0.919  -2.999  1.00  0.00           H  
HETATM   28  H4  UNL     1      -0.037   0.858  -0.045  1.00  0.00           H  
HETATM   29  H5  UNL     1       1.776   0.775  -0.427  1.00  0.00           H  
HETATM   30  H6  UNL     1       3.466   0.180  -1.795  1.00  0.00           H  
HETATM   31  H7  UNL     1       3.257  -1.603  -1.646  1.00  0.00           H  
HETATM   32  H8  UNL     1       4.714   1.646   2.329  1.00  0.00           H  
HETATM   33  H9  UNL     1       6.350   0.592  -1.197  1.00  0.00           H  
HETATM   34  H10 UNL     1       1.626  -0.107   1.529  1.00  0.00           H  
HETATM   35  H11 UNL     1       1.874  -2.454   1.942  1.00  0.00           H  
HETATM   36  H12 UNL     1      -0.135  -2.206   0.374  1.00  0.00           H  
HETATM   37  H13 UNL     1      -0.480  -1.669   2.498  1.00  0.00           H  
HETATM   38  H14 UNL     1      -2.258   0.786   1.525  1.00  0.00           H  
CONECT    1    2    2   25
CONECT    2    3   24
CONECT    3    4    4
CONECT    4    5    6
CONECT    5   26
CONECT    6    7   23   23
CONECT    7    8    8
CONECT    8    9   27
CONECT    9   10   23
CONECT   10   11   21   28
CONECT   11   12
CONECT   12   13   19   29
CONECT   13   14   30   31
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   32
CONECT   18   33
CONECT   19   20   21   34
CONECT   20   35
CONECT   21   22   36
CONECT   22   37
CONECT   23   24
CONECT   24   38
END

HMDB0257693
     RDKit          3D
[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihy...
 38 40  0  0  0  0  0  0  0  0999 V2000
   -4.5255    1.4354    2.3117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2637    1.0675    1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2415    1.0107    0.2045 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0070    0.5751   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0679    0.5354   -1.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7508    0.1795   -1.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1634   -0.3067   -2.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -0.5227   -2.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5973   -0.1858   -0.9972 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -0.2037   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.5141   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7556   -0.4310   -0.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -0.5942   -1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021   -0.6744    0.0552 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.6348    0.3815 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.1243    1.9296   -0.0759 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    0.7195    2.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    0.6561   -0.2143 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327   -0.9370    0.7726 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2318   -2.0405    1.1207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0057   -1.1824    0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5447   -0.9040    1.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7403    0.2529   -0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0131    0.6940    0.8028 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7945    1.4906    3.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5159    1.4378   -2.2133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1855   -0.9188   -2.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0369    0.8578   -0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7760    0.7746   -0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    0.1800   -1.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2575   -1.6033   -1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    1.6457    2.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3498    0.5920   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -0.1068    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8739   -2.4544    1.9415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1350   -2.2064    0.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -1.6691    2.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2580    0.7863    1.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  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 23  1  0
 23 24  1  0
 24  2  1  0
 23  6  2  0
 21 10  1  0
  1 25  1  0
  5 26  1  0
  8 27  1  0
 10 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 17 32  1  0
 18 33  1  0
 19 34  1  0
 20 35  1  0
 21 36  1  0
 22 37  1  0
 24 38  1  0
M  END

Synonyms

Value	Source
5'-Guanylate	Generator

Molecular Formula

C₁₀H₁₄N₅O₈P

Average Mass

363.2206

Monoisotopic Mass

363.057998961

IUPAC Name

{[3,4-dihydroxy-5-(6-hydroxy-2-imino-3,9-dihydro-2H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

Traditional Name

[3,4-dihydroxy-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid

CAS Registry Number

Not Available

SMILES

OC1C(COP(O)(O)=O)OC(C1O)N1C=NC2=C1NC(=N)N=C2O

InChI Identifier

InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)

InChI Key

RQFCJASXJCIDSX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside monophosphates

Alternative Parents

Substituents

Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Monosaccharide phosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Aminopyrimidine
Monoalkyl phosphate
Pyrimidone
Alkyl phosphate
Pyrimidine
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Tetrahydrofuran
Azole
Imidazole
Heteroaromatic compound
Vinylogous amide
1,2-diol
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Primary amine
Organic nitrogen compound
Amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Alcohol
Organonitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	2.63 g/L	ALOGPS
logP	-1.9	ALOGPS
logP	-3.7	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	2.97	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	202.74 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	86.08 m³·mol⁻¹	ChemAxon
Polarizability	31.11 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9613000000-25af1e68cd06f009e02f	2021-09-24	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_3_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0913000000-001b1f57c165727e68e8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0900000000-3608dda512a53dd81925	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-1900000000-3ba27baa7aebb3284a40	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0imi-7709000000-b26de7b66118aa84258c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0fb9-9800000000-0ceb7a9ad670c9ebca71	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9200000000-a1c937f9b36b1be1da4c	2015-09-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100.41 MHz, D₂O, experimental)		2016-09-22	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-23	595.0
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	466.0
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-23	60.7
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	255.9
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	351.4
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	265.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	441.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	899.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	962.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	142.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	488.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	161.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	29.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	484.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	860.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-23	83.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	223.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	709.0
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	576.7

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	GMP_TMS_1	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O	standard non polar	2025-10-24	2602.23
Gas Chromatography	GMP_TMS_2	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N1C=NC2=C1[NH]C(=N)N=C2O	standard non polar	2025-10-24	1925.83
Gas Chromatography	GMP_TMS_3	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O	standard non polar	2025-10-24	1924.46
Gas Chromatography	GMP_TMS_4	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C2[NH]C(=N)N=C3O)C(O)C1O	standard non polar	2025-10-24	1837.06
Gas Chromatography	GMP_TMS_5	C[Si](C)(C)N1C(=N)N=C(O)C2=C1N(C1OC(COP(=O)(O)O)C(O)C1O)C=N2	standard non polar	2025-10-24	2116.59
Gas Chromatography	GMP_TMS_6	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O)C=N2	standard non polar	2025-10-24	1966.82
Gas Chromatography	GMP_TMS_7	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2517.56
Gas Chromatography	GMP_TMS_8	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1935.75
Gas Chromatography	GMP_TMS_9	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O	standard non polar	2025-10-24	1843.42
Gas Chromatography	GMP_TMS_10	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O)C=N2	standard non polar	2025-10-24	791.138
Gas Chromatography	GMP_TMS_11	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O	standard non polar	2025-10-24	2720.81
Gas Chromatography	GMP_TMS_12	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1840.82
Gas Chromatography	GMP_TMS_13	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1[NH]C(=N)N=C2O	standard non polar	2025-10-24	2148.19
Gas Chromatography	GMP_TMS_14	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	1332.81
Gas Chromatography	GMP_TMS_15	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N1C=NC2=C1N([Si](C)(C)C)C(=N)N=C2O	standard non polar	2025-10-24	1554.51
Gas Chromatography	GMP_TMS_16	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-24	1317.89
Gas Chromatography	GMP_TMS_17	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O)C=N2	standard non polar	2025-10-24	2422.78
Gas Chromatography	GMP_TMS_18	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O	standard non polar	2025-10-24	1792.62
Gas Chromatography	GMP_TMS_19	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2[NH]C(=N)N=C3O)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1885.18
Gas Chromatography	GMP_TMS_20	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O)C=N2	standard non polar	2025-10-24	1796.71
Gas Chromatography	GMP_TMS_21	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C(O)C1O	standard non polar	2025-10-24	2402.21
Gas Chromatography	GMP_TMS_22	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2338.62
Gas Chromatography	GMP_TMS_23	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1699.55
Gas Chromatography	GMP_TMS_24	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1926.33
Gas Chromatography	GMP_TMS_25	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O)C=N2	standard non polar	2025-10-24	1979.11
Gas Chromatography	GMP_TMS_26	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2748.92
Gas Chromatography	GMP_TMS_27	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2289.96
Gas Chromatography	GMP_TMS_28	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	2070.34
Gas Chromatography	GMP_TMS_29	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2461.11
Gas Chromatography	GMP_TMS_30	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O	standard non polar	2025-10-24	1639.12
Gas Chromatography	GMP_TMS_31	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	standard non polar	2025-10-24	2003.38
Gas Chromatography	GMP_TMS_32	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O	standard non polar	2025-10-24	965.156
Gas Chromatography	GMP_TMS_33	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2477.63
Gas Chromatography	GMP_TMS_34	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2734.12
Gas Chromatography	GMP_TMS_35	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	2425.83
Gas Chromatography	GMP_TMS_36	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2229.58
Gas Chromatography	GMP_TMS_37	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1[NH]C(=N)N=C2O	standard non polar	2025-10-24	2681.17
Gas Chromatography	GMP_TMS_38	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	1016.65
Gas Chromatography	GMP_TMS_39	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C)C(=N)N=C2O	standard non polar	2025-10-24	1681.92
Gas Chromatography	GMP_TMS_40	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1662.62
Gas Chromatography	GMP_TMS_41	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-24	2146.3
Gas Chromatography	GMP_TMS_42	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O)C=N2	standard non polar	2025-10-24	1983.39
Gas Chromatography	GMP_TMS_43	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-24	1935.57
Gas Chromatography	GMP_TMS_44	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1444.36
Gas Chromatography	GMP_TMS_45	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O)C=N2	standard non polar	2025-10-24	1238.59
Gas Chromatography	GMP_TMS_46	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C(O)C1O)O[Si](C)(C)C	standard non polar	2025-10-24	1087.91
Gas Chromatography	GMP_TMS_47	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	937.957
Gas Chromatography	GMP_TMS_48	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1665.23
Gas Chromatography	GMP_TMS_49	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	2141.57
Gas Chromatography	GMP_TMS_50	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1588.47
Gas Chromatography	GMP_TMS_51	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-24	2415.71
Gas Chromatography	GMP_TMS_52	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	standard non polar	2025-10-24	2797.71
Gas Chromatography	GMP_TMS_53	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1465.66
Gas Chromatography	GMP_TMS_54	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2320.67
Gas Chromatography	GMP_TMS_55	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1661.61
Gas Chromatography	GMP_TMS_56	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	1677.65
Gas Chromatography	GMP_TMS_57	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2613.78
Gas Chromatography	GMP_TMS_58	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1899.86
Gas Chromatography	GMP_TMS_59	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	standard non polar	2025-10-24	2112.49
Gas Chromatography	GMP_TMS_60	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O	standard non polar	2025-10-24	3141.07
Gas Chromatography	GMP_TMS_61	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2221.89
Gas Chromatography	GMP_TMS_62	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1621.81
Gas Chromatography	GMP_TMS_63	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	1155.9
Gas Chromatography	GMP_TMS_64	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1919.48
Gas Chromatography	GMP_TMS_65	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1724.82
Gas Chromatography	GMP_TMS_66	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	1465.27
Gas Chromatography	GMP_TMS_67	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C)C(=N)N=C2O	standard non polar	2025-10-24	1486.55
Gas Chromatography	GMP_TMS_68	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2080.34
Gas Chromatography	GMP_TMS_69	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O)C=N2	standard non polar	2025-10-24	1428.84
Gas Chromatography	GMP_TMS_70	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	standard non polar	2025-10-24	1745.78
Gas Chromatography	GMP_TMS_71	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1429.5
Gas Chromatography	GMP_TMS_72	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2579.66
Gas Chromatography	GMP_TMS_73	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2420.91
Gas Chromatography	GMP_TMS_74	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	1766.9
Gas Chromatography	GMP_TMS_75	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	2806.03
Gas Chromatography	GMP_TMS_76	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1267.66
Gas Chromatography	GMP_TMS_77	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	standard non polar	2025-10-24	1070.51
Gas Chromatography	GMP_TMS_78	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard non polar	2025-10-24	1486.33
Gas Chromatography	GMP_TMS_79	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2256.43
Gas Chromatography	GMP_TMS_80	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	2340.15
Gas Chromatography	GMP_TMS_81	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	standard non polar	2025-10-24	1470.35
Gas Chromatography	GMP_TMS_82	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2244.82
Gas Chromatography	GMP_TMS_83	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1741.49
Gas Chromatography	GMP_TMS_84	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	2700.71
Gas Chromatography	GMP_TMS_85	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard non polar	2025-10-24	2223.91
Gas Chromatography	GMP_TMS_86	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1742.24
Gas Chromatography	GMP_TMS_87	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1454.19
Gas Chromatography	GMP_TMS_88	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2480.84
Gas Chromatography	GMP_TMS_89	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard non polar	2025-10-24	1949.2
Gas Chromatography	GMP_TMS_90	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard non polar	2025-10-24	1869.86
Gas Chromatography	GMP_TMS_91	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1742.38
Gas Chromatography	GMP_TMS_92	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	1360.72
Gas Chromatography	GMP_TMS_93	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2254.08
Gas Chromatography	GMP_TMS_94	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2167.26
Gas Chromatography	GMP_TMS_95	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard non polar	2025-10-24	2031.35
Gas Chromatography	GMP_TMS_1	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O	standard polar	2025-10-24	1956.02
Gas Chromatography	GMP_TMS_2	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N1C=NC2=C1[NH]C(=N)N=C2O	standard polar	2025-10-24	2190.0
Gas Chromatography	GMP_TMS_3	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O	standard polar	2025-10-24	1500.04
Gas Chromatography	GMP_TMS_4	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C2[NH]C(=N)N=C3O)C(O)C1O	standard polar	2025-10-24	1779.97
Gas Chromatography	GMP_TMS_5	C[Si](C)(C)N1C(=N)N=C(O)C2=C1N(C1OC(COP(=O)(O)O)C(O)C1O)C=N2	standard polar	2025-10-24	2061.17
Gas Chromatography	GMP_TMS_6	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O)C=N2	standard polar	2025-10-24	1666.62
Gas Chromatography	GMP_TMS_7	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	standard polar	2025-10-24	2419.18
Gas Chromatography	GMP_TMS_8	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C	standard polar	2025-10-24	2264.84
Gas Chromatography	GMP_TMS_9	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O	standard polar	2025-10-24	2502.21
Gas Chromatography	GMP_TMS_10	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O)C=N2	standard polar	2025-10-24	2038.03
Gas Chromatography	GMP_TMS_11	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O	standard polar	2025-10-24	1797.31
Gas Chromatography	GMP_TMS_12	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	standard polar	2025-10-24	1865.15
Gas Chromatography	GMP_TMS_13	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1[NH]C(=N)N=C2O	standard polar	2025-10-24	2204.33
Gas Chromatography	GMP_TMS_14	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	2139.76
Gas Chromatography	GMP_TMS_15	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O)OC1N1C=NC2=C1N([Si](C)(C)C)C(=N)N=C2O	standard polar	2025-10-24	1280.19
Gas Chromatography	GMP_TMS_16	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	standard polar	2025-10-24	1473.68
Gas Chromatography	GMP_TMS_17	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O)C=N2	standard polar	2025-10-24	1886.35
Gas Chromatography	GMP_TMS_18	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O	standard polar	2025-10-24	2304.31
Gas Chromatography	GMP_TMS_19	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2[NH]C(=N)N=C3O)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2075.68
Gas Chromatography	GMP_TMS_20	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O)C=N2	standard polar	2025-10-24	2532.72
Gas Chromatography	GMP_TMS_21	C[Si](C)(C)OP(=O)(O)OCC1OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C(O)C1O	standard polar	2025-10-24	2202.9
Gas Chromatography	GMP_TMS_22	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2248.87
Gas Chromatography	GMP_TMS_23	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2519.54
Gas Chromatography	GMP_TMS_24	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard polar	2025-10-24	976.513
Gas Chromatography	GMP_TMS_25	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O)C=N2	standard polar	2025-10-24	1033.29
Gas Chromatography	GMP_TMS_26	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O	standard polar	2025-10-24	2444.81
Gas Chromatography	GMP_TMS_27	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C	standard polar	2025-10-24	2125.06
Gas Chromatography	GMP_TMS_28	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	1397.98
Gas Chromatography	GMP_TMS_29	C[Si](C)(C)OC1C(COP(=O)(O)O)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	standard polar	2025-10-24	1895.01
Gas Chromatography	GMP_TMS_30	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O	standard polar	2025-10-24	1950.82
Gas Chromatography	GMP_TMS_31	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	standard polar	2025-10-24	2300.82
Gas Chromatography	GMP_TMS_32	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O	standard polar	2025-10-24	2111.83
Gas Chromatography	GMP_TMS_33	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2719.8
Gas Chromatography	GMP_TMS_34	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard polar	2025-10-24	1929.34
Gas Chromatography	GMP_TMS_35	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	1354.23
Gas Chromatography	GMP_TMS_36	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O)C1O[Si](C)(C)C	standard polar	2025-10-24	1175.17
Gas Chromatography	GMP_TMS_37	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1[NH]C(=N)N=C2O	standard polar	2025-10-24	1964.61
Gas Chromatography	GMP_TMS_38	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	1935.6
Gas Chromatography	GMP_TMS_39	C[Si](C)(C)OC1C(O)C(COP(=O)(O)O[Si](C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C)C(=N)N=C2O	standard polar	2025-10-24	1829.58
Gas Chromatography	GMP_TMS_40	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2268.9
Gas Chromatography	GMP_TMS_41	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	standard polar	2025-10-24	2740.58
Gas Chromatography	GMP_TMS_42	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O)C=N2	standard polar	2025-10-24	1737.58
Gas Chromatography	GMP_TMS_43	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O	standard polar	2025-10-24	3603.1
Gas Chromatography	GMP_TMS_44	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2639.59
Gas Chromatography	GMP_TMS_45	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O)C=N2	standard polar	2025-10-24	2389.88
Gas Chromatography	GMP_TMS_46	C[Si](C)(C)OP(=O)(OCC1OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C(O)C1O)O[Si](C)(C)C	standard polar	2025-10-24	2601.73
Gas Chromatography	GMP_TMS_47	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	3070.17
Gas Chromatography	GMP_TMS_48	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1618.93
Gas Chromatography	GMP_TMS_49	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	1530.56
Gas Chromatography	GMP_TMS_50	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	2716.43
Gas Chromatography	GMP_TMS_51	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard polar	2025-10-24	2525.98
Gas Chromatography	GMP_TMS_52	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	standard polar	2025-10-24	1519.48
Gas Chromatography	GMP_TMS_53	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard polar	2025-10-24	995.953
Gas Chromatography	GMP_TMS_54	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2548.05
Gas Chromatography	GMP_TMS_55	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2[NH]C(=N)N=C3O)C1O[Si](C)(C)C	standard polar	2025-10-24	1452.4
Gas Chromatography	GMP_TMS_56	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	1758.89
Gas Chromatography	GMP_TMS_57	C[Si](C)(C)OC1C(COP(=O)(O)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	standard polar	2025-10-24	1082.79
Gas Chromatography	GMP_TMS_58	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2714.76
Gas Chromatography	GMP_TMS_59	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	standard polar	2025-10-24	1662.4
Gas Chromatography	GMP_TMS_60	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O	standard polar	2025-10-24	3087.93
Gas Chromatography	GMP_TMS_61	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	1712.55
Gas Chromatography	GMP_TMS_62	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard polar	2025-10-24	2410.6
Gas Chromatography	GMP_TMS_63	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	1478.4
Gas Chromatography	GMP_TMS_64	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard polar	2025-10-24	970.807
Gas Chromatography	GMP_TMS_65	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	1857.69
Gas Chromatography	GMP_TMS_66	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	1761.11
Gas Chromatography	GMP_TMS_67	C[Si](C)(C)OC1C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC1N1C=NC2=C1N([Si](C)(C)C)C(=N)N=C2O	standard polar	2025-10-24	2974.38
Gas Chromatography	GMP_TMS_68	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2041.88
Gas Chromatography	GMP_TMS_69	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O)C=N2	standard polar	2025-10-24	1496.06
Gas Chromatography	GMP_TMS_70	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O	standard polar	2025-10-24	1849.7
Gas Chromatography	GMP_TMS_71	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	1744.87
Gas Chromatography	GMP_TMS_72	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2020.63
Gas Chromatography	GMP_TMS_73	C[Si](C)(C)OC1=NC(=N)[NH]C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1069.03
Gas Chromatography	GMP_TMS_74	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	1468.25
Gas Chromatography	GMP_TMS_75	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1693.59
Gas Chromatography	GMP_TMS_76	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	1540.15
Gas Chromatography	GMP_TMS_77	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C=N2	standard polar	2025-10-24	2047.04
Gas Chromatography	GMP_TMS_78	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	standard polar	2025-10-24	3352.14
Gas Chromatography	GMP_TMS_79	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2435.67
Gas Chromatography	GMP_TMS_80	C[Si](C)(C)N=C1N=C(O)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	1797.72
Gas Chromatography	GMP_TMS_81	C[Si](C)(C)OC1C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)OC(N2C=NC3=C2N([Si](C)(C)C)C(=N)N=C3O)C1O[Si](C)(C)C	standard polar	2025-10-24	2548.5
Gas Chromatography	GMP_TMS_82	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	1704.37
Gas Chromatography	GMP_TMS_83	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	3000.42
Gas Chromatography	GMP_TMS_84	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	2180.71
Gas Chromatography	GMP_TMS_85	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	standard polar	2025-10-24	956.23
Gas Chromatography	GMP_TMS_86	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	949.523
Gas Chromatography	GMP_TMS_87	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	3478.65
Gas Chromatography	GMP_TMS_88	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	1619.27
Gas Chromatography	GMP_TMS_89	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C([NH]1)N(C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C=N2	standard polar	2025-10-24	3593.23
Gas Chromatography	GMP_TMS_90	C[Si](C)(C)OC1=NC(=N)N([Si](C)(C)C)C2=C1N=CN2C1OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	standard polar	2025-10-24	1128.44
Gas Chromatography	GMP_TMS_91	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2019.91
Gas Chromatography	GMP_TMS_92	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2166.82
Gas Chromatography	GMP_TMS_93	C[Si](C)(C)N=C1N=C(O)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2224.2
Gas Chromatography	GMP_TMS_94	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	1814.01
Gas Chromatography	GMP_TMS_95	C[Si](C)(C)N=C1N=C(O[Si](C)(C)C)C2=C(N(C3OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C=N2)N1[Si](C)(C)C	standard polar	2025-10-24	2188.43

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Name	SMPDB/PathBank	Species
Adenosylcobalamin Salvage from Cobinamide		Escherichia coli Pseudomonas aeruginosa Escherichia coli SMS-3-5 Escherichia coli UTI89 Escherichia coli 55989 Escherichia coli SE11 Mycobacterium marinum M Pseudomonas aeruginosa PA7 Escherichia coli CFT073 Ochrobactrum anthropi Pseudomonas stutzeri Mycobacterium tuberculosis Klebsiella pneumoniae Pseudomonas fluorescens Pf-5 Streptomyces griseus subsp. griseus NBRC 13350 Mycobacterium tuberculosis CDC1551 Roseburia intestinalis L1-82 Clostridium saccharoperbutylacetonicum N1-4(HMT) Salmonella enterica Clostridium acetobutylicum ATCC 824 Clostridium perfringens Clostridium sporogenes Rhodospirillum rubrum ATCC 11170 Aromatoleum aromaticum EbN1 Saccharopolyspora erythraea NRRL 2338 Streptomyces avermitilis MA-4680 Acinetobacter baumannii Akkermansia muciniphila ATCC BAA-835 Anaerostipes caccae Bacillus halodurans C-125 Alkalihalobacillus pseudofirmus OF4 Bacteroides cellulosilyticus Bacteroides eggerthii Bacteroides fragilis Bacteroides fragilis 638R Bacteroides fragilis YCH46 Bacteroides ovatus Bacteroides stercoris Bacteroides stercoris ATCC 43183 Bacteroides vulgatus Blautia hansenii DSM 20583 Blautia obeum A2-162 Blautia obeum ATCC 29174 Brevibacillus brevis NBRC 100599 Clostridium beijerinckii NCIMB 8052 Clostridium botulinum Clostridium perfringens ATCC 13124 Clostridium saccharolyticum Clostridium sticklandii Collinsella aerofaciens Coprococcus catus GD/7 Dorea formicigenerans ATCC 27755 Dysgonomonas gadei ATCC BAA-286 Eubacterium eligens ATCC 27750 Eubacterium rectale ATCC 33656 Fusobacterium nucleatum subsp. nucleatum ATCC 25586 Geobacter metallireducens Lactobacillus reuteri Megamonas hypermegale Methylobacterium nodulans Ochrobactrum anthropi ATCC 49188 Ochrobactrum intermedium LMG 3301 Odoribacter splanchnicus DSM 20712 Parabacteroides distasonis Parabacteroides distasonis ATCC 8503 Parabacteroides goldsteinii dnLKV18 Porphyromonas asaccharolytica DSM 20707 Porphyromonas endodontalis ATCC 35406 Porphyromonas gingivalis ATCC 33277 Prevotella ruminicola 23 Roseburia hominis A2-183 Ruminococcus torques L2-14 Pelobacter carbinolicus Thermus thermophilus Comamonas testosteroni Burkholderia cepacia Pseudomonas fluorescens Pseudomonas mendocina Pseudomonas putida Pseudomonas syringae Xanthomonas campestris Bradyrhizobium japonicum Mesorhizobium loti Sinorhizobium meliloti Methylococcus capsulatus Chromobacterium violaceum Citrobacter koseri Shigella boydii Shigella dysenteriae Shigella flexneri Shigella sonnei Vibrio vulnificus Bacteroides uniformis Fusobacterium gonidiaformans Fusobacterium periodonticum Fusobacterium ulcerans Syntrophomonas wolfei Desulfovibrio salexigens Desulfovibrio piger Rhodopseudomonas palustris Chlorobium phaeobacteroides Deinococcus radiodurans Streptococcus sanguinis Priestia megaterium Clostridium butyricum Moorella thermoacetica Clostridium kluyveri Clostridium novyi Lactobacillus coryniformis Corynebacterium diphtheriae Corynebacterium glutamicum Mycobacterium avium Desulfobacterium autotrophicum Roseobacter denitrificans Acidothermus cellulolyticus Pelobacter propionicus Thiobacillus denitrificans Eubacterium ramulus Veillonella atypica Veillonella dispar Leptotrichia buccalis Actinosynnema mirum Mitsuokella multacida Blautia hydrogenotrophica Acidimicrobium ferrooxidans Desulfotomaculum reducens Burkholderia vietnamiensis Bacillus pseudofirmus Clostridium methylpentosum Burkholderia multivorans Dorea longicatena Peptacetobacter hiranonis Burkholderia cenocepacia Methylibium petroleiphilum Pelotomaculum thermopropionicum Syntrophobacter fumaroxidans Citrobacter youngae Burkholderia ambifaria Ilyobacter polytropus Marvinbryantia formatexigens Anaerotruncus colihominis Alicycliphilus denitrificans Desulfovibrio magneticus Methylocella silvestris Bacteroides massiliensis Escherichia albertii Subdoligranulum variabile Dialister invisus Geobacter bemidjiensis Bacteroides plebeius Bacteroides pyogenes Geobacter lovleyi Bacteroides intestinalis Coprococcus comes Bacteroides fluxus Bacteroides oleiciplenus Agrobacterium tumefaciens Bacteroides helcogenes Bacteroides xylanisolvens Blautia hansenii Blautia obeum Clostridium beijerinckii Dorea formicigenerans Dysgonomonas gadei Fusobacterium nucleatum Klebsiella variicola Odoribacter splanchnicus Parabacteroides goldsteinii Porphyromonas asaccharolytica Prevotella ruminicola Streptococcus suis Veillonella parvula Acinetobacter baumannii ACICU Acinetobacter baumannii AB0057 Acinetobacter baumannii AB307-0294 Agrobacterium tumefaciens str. C58 Bacillus megaterium QM B1551 Priestia megaterium DSM 319 Bradyrhizobium japonicum USDA 110 Citrobacter koseri ATCC BAA-895 Clostridium perfringens str. 13 Clostridium botulinum A str. Hall Clostridium botulinum B1 str. Okra Clostridium botulinum A2 str. Kyoto Clostridium botulinum Ba4 str. 657 Clostridium sticklandii DSM 519 Clostridium sp. SY8519 Clostridium perfringens SM101 Corynebacterium kroppenstedtii DSM 44385 Delftia acidovorans SPH-1 Dyadobacter fermentans DSM 18053 Escherichia coli APEC O1 Escherichia coli E24377A Escherichia coli O127:H6 str. E2348/69 Escherichia coli UMN026 Escherichia coli ED1a Escherichia coli IAI39 Klebsiella pneumoniae subsp. pneumoniae MGH 78578 Lactobacillus reuteri DSM 20016 Lactobacillus reuteri SD2112 Laribacter hongkongensis HLHK9 Leptotrichia buccalis C-1013-b Lysinibacillus sphaericus C3-41 Mesorhizobium loti MAFF303099 Methylobacterium radiotolerans JCM 2831 Methylobacterium populi BJ001 Mycobacterium avium subsp. paratuberculosis K-10 Mycobacterium avium 104 Escherichia coli 042 Acinetobacter calcoaceticus PHEA-2 Edwardsiella tarda FL6-60 Porphyromonas gingivalis W83 Propionibacterium freudenreichii subsp. shermanii CIRM-BIA1 Pseudomonas putida KT2440 Pseudomonas fluorescens Pf0-1 Pseudomonas stutzeri A1501 Pseudomonas fluorescens SBW25 Pseudomonas putida GB-1 Rhizobium leguminosarum bv. viciae 3841 Rhizobium leguminosarum bv. trifolii WSM2304 Rhodococcus erythropolis PR4 Salmonella enterica subsp. enterica serovar Typhimurium str. LT2 Salmonella enterica subsp. enterica serovar Newport str. SL254 Salmonella enterica subsp. enterica serovar Heidelberg str. SL476 Salmonella enterica subsp. enterica serovar Agona str. SL483 Salmonella enterica subsp. enterica serovar Dublin str. CT02021853 Shigella sonnei Ss046 Shigella dysenteriae Sd197 Shigella flexneri 5 str. 8401 Streptococcus sanguinis SK36 Vibrio parahaemolyticus RIMD 2210633 Yersinia enterocolitica subsp. enterocolitica 8081 Bacteroides cellulosilyticus DSM 14838 Bacteroides eggerthii 1_2_48FAA Bacteroides fluxus YIT 12057 Bacteroides graminisolvens Bacteroides graminisolvens DSM 19988 = JCM 15093 Bacteroides intestinalis DSM 17393 Bacteroides oleiciplenus YIT 12058 Bacteroides ovatus ATCC 8483 Bacteroides pyogenes DSM 20611 = JCM 6294 Bacteroides uniformis ATCC 8492 Bacteroides sp. 2_2_4 Bacteroides sp. D2 Bacteroides sp. D20 Butyricimonas virosa Odoribacter laneus YIT 12061 Porphyromonas endodontalis Porphyromonas uenonis 60-3 Paraprevotella clara YIT 11840 Paraprevotella xylaniphila YIT 11841 Prevotella buccae ATCC 33574 Prevotella loescheii DSM 19665 = JCM 12249 = ATCC 15930 Prevotella oralis ATCC 33269 Prevotella salivae DSM 15606 Prevotella shahii DSM 15611 = JCM 12083 Parabacteroides johnsonii DSM 18315 Parabacteroides sp. D13 Tannerella forsythia Bacteroides coprophilus DSM 18228 = JCM 13818 Bacteroides dorei DSM 17855 Chlorobium limicola Cetobacterium somerae ATCC BAA-474 Fusobacterium gonidiaformans 3-1-5R Fusobacterium nucleatum subsp. animalis 4_8 Fusobacterium nucleatum subsp. animalis 7_1 Fusobacterium nucleatum subsp. animalis D11 Fusobacterium nucleatum subsp. vincentii 4_1_13 Fusobacterium periodonticum 1_1_41FAA Thermodesulfovibrio yellowstonii Beijerinckia indica Bradyrhizobium elkanii Methylobacterium mesophilicum Methylobacterium mesophilicum SR1.6/6 Rhizobium etli Azorhizobium caulinodans Xanthobacter autotrophicus Burkholderia cepacia GG4 Lautropia mirabilis Lautropia mirabilis ATCC 51599 Laribacter hongkongensis Methyloversatilis universalis Methyloversatilis universalis FAM5 Desulfococcus oleovorans Bilophila wadsworthia 3_1_6 Desulfovibrio piger ATCC 29098 Allochromatium vinosum Citrobacter amalonaticus Citrobacter amalonaticus Y19 Citrobacter freundii Citrobacter youngae ATCC 29220 Escherichia albertii TW07627 Klebsiella aerogenes Salmonella Salmonella enterica subsp. enterica serovar Typhimurium Trabulsiella guamensis Trabulsiella guamensis ATCC 49490 Edwardsiella tarda Edwardsiella tarda ATCC 23685 Hafnia alvei Hafnia alvei ATCC 51873 Morganella morganii Morganella morganii subsp. morganii KT Yersinia enterocolitica Acinetobacter pittii Acinetobacter haemolyticus Acinetobacter johnsonii Acinetobacter johnsonii SH046 Acinetobacter junii SH205 Vibrio fluvialis Vibrio fluvialis PG41 Vibrio parahaemolyticus Vibrio mimicus Leptospira interrogans Treponema denticola Acetomicrobium hydrogeniformans Corynebacterium amycolatum Corynebacterium durum Corynebacterium durum F0235 Gordonia terrae C-6 Rhodococcus erythropolis Propionibacterium Streptomyces avermitilis Thermomonospora curvata Collinsella tanakaei YIT 12063 Lysinibacillus sphaericus Aneurinibacillus aneurinilyticus Aneurinibacillus aneurinilyticus ATCC 12856 Paenibacillus lactis 154 Lactobacillus reuteri CF48-3A Lactobacillus reuteri MM4-1A Lactobacillus coryniformis subsp. coryniformis CECT 5711 Streptococcus australis ATCC 700641 Butyricicoccus pullicaecorum Butyricicoccus pullicaecorum 1.2 Clostridium butyricum E4 str. BoNT E BL5262 Clostridium celatum DSM 1785 Clostridium sartagoforme AAU1 Eubacterium ramulus ATCC 29099 [Eubacterium] cellulosolvens 6 Pseudoramibacter alactolyticus ATCC 23263 Anaerostipes caccae DSM 14662 Blautia hydrogenotrophica DSM 10507 Blautia wexlerae Coprococcus comes ATCC 27758 Dorea longicatena DSM 13814 Clostridium asparagiforme DSM 15981 [Clostridium] bolteae ATCC BAA-613 Clostridium citroniae WAL-17108 [Clostridium] hylemonae DSM 15053 [Clostridium] symbiosum WAL-14163 [Ruminococcus] gnavus ATCC 29149 [Ruminococcus] lactaris ATCC 29176 [Ruminococcus] torques ATCC 27756 Roseburia inulinivorans DSM 16841 Peptostreptococcus stomatis DSM 17678 Anaerotruncus colihominis DSM 17241 Flavonifractor plautii ATCC 29863 Pseudoflavonifractor capillosus ATCC 29799 Ruminococcus callidus ATCC 27760 Subdoligranulum variabile DSM 15176 [Bacteroides] pectinophilus ATCC 43243 Phascolarctobacterium succinatutens YIT 12067 Mitsuokella multacida DSM 20544 Dialister invisus DSM 15470 Dialister succinatiphilus Dialister succinatiphilus YIT 11850 Megasphaera elsdenii Veillonella atypica ACS-049-V-Sch6 Veillonella dispar ATCC 17748 Streptomyces coelicolor A3(2) Ralstonia eutropha H16 Xanthomonas campestris pv. campestris str. ATCC 33913 Xanthomonas campestris pv. campestris str. B100 Xanthomonas campestris pv. campestris str. 8004 Vibrio cholerae M66-2 Vibrio cholerae O1 biovar El Tor str. N16961 Corynebacterium glutamicum ATCC 13032 Clostridioides difficile 630 Clostridioides difficile NAP08 Shewanella frigidimarina NCIMB 400 Lachnoclostridium phytofermentans ISDg Acidimicrobium ferrooxidans DSM 10331 Acidothermus cellulolyticus 11B Alkaliphilus metalliredigens QYMF Amycolatopsis mediterranei U32 Anoxybacillus flavithermus WK1 Candidatus Desulforudis audaxviator MP104C Carboxydothermus hydrogenoformans Z-2901 Catenulispora acidiphila DSM 44928 Clostridium tetani E88 Clostridium novyi NT Clostridium thermocellum ATCC 27405 Clostridium kluyveri DSM 555 Clostridium kluyveri NBRC 12016 Clostridium cellulolyticum H10 Corynebacterium glutamicum R Dehalococcoides ethenogenes 195 Dehalococcoides sp. CBDB1 Deinococcus radiodurans R1 Deinococcus geothermalis DSM 11300 Deinococcus proteolyticus MRP Desulfotomaculum reducens MI-1 Frankia alni ACN14a Frankia sp. EuI1c Geobacillus kaustophilus HTA426 Geobacillus thermodenitrificans NG80-2 Gordonia bronchialis DSM 43247 Intrasporangium calvum DSM 43043 Kribbella flavida DSM 17836 Meiothermus ruber DSM 1279 Mycobacterium bovis AF2122/97 Mycobacterium ulcerans Agy99 Mycobacterium vanbaalenii PYR-1 Mycobacterium bovis BCG str. Pasteur 1173P2 Mycobacterium tuberculosis H37Ra Mycobacterium abscessus ATCC 19977 Mycobacterium sp. Spyr1 Mycobacterium sp. JDM601 Mycobacterium canettii CIPT 140010059 Nakamurella multipartita DSM 44233 Natranaerobius thermophilus JW/NM-WN-LF Nocardia farcinica IFM 10152 Nocardioides sp. JS614 Corynebacterium diphtheriae NCTC 13129 Bacillus tusciae DSM 2912 Pelotomaculum thermopropionicum SI Pseudonocardia dioxanivorans CB1190 Rhodococcus opacus B4 Rhodococcus jostii RHA1 Rhodococcus equi 103S Rubrobacter xylanophilus DSM 9941 Saccharomonospora viridis DSM 43017 Salinispora tropica CNB-440 Slackia heliotrinireducens DSM 20476 Streptomyces scabiei 87.22 Streptomyces violaceusniger Tu 4113 Streptosporangium roseum DSM 43021 Thermoanaerobacter sp. X514 Thermoanaerobacter pseudethanolicus ATCC 33223 Thermoanaerobacter italicus Ab9 Thermoanaerobacterium thermosaccharolyticum DSM 571 Thermobispora bispora DSM 43833 Thermomonospora curvata DSM 43183 Tsukamurella paurometabola DSM 20162 Paraburkholderia graminis C4D1M Mycolicibacterium fortuitum subsp. fortuitum DSM 46621 = ATCC 6841 Rhodococcus hoagii ATCC 33707 Acidipropionibacterium acidipropionici ATCC 4875 Anaerobutyricum hallii DSM 3353 Bacteroides helcogenes P 36-108 Klebsiella aerogenes KCTC 2190 Halanaerobium hydrogeniformans Acaryochloris marina MBIC11017 Acidiphilium multivorum AIU301 Acidovorax citrulli AAC00-1 Acidovorax sp. JS42 Acidovorax ebreus TPSY Agrobacterium vitis S4 Agrobacterium radiobacter K84 Rhodoferax ferrireducens T118 Alcanivorax borkumensis SK2 Alicycliphilus denitrificans K601 Alkalilimnicola ehrlichii MLHE-1 Anabaena variabilis ATCC 29413 Azorhizobium caulinodans ORS 571 Azotobacter vinelandii DJ Beijerinckia indica subsp. indica ATCC 9039 Bradyrhizobium sp. ORS278 Bradyrhizobium sp. BTAi1 Brucella melitensis bv. 1 str. 16M Brucella abortus bv. 1 str. 9-941 Brucella ovis ATCC 25840 Brucella canis ATCC 23365 Brucella suis ATCC 23445 Brucella abortus S19 Brucella melitensis ATCC 23457 Brucella microti CCM 4915 Burkholderia mallei ATCC 23344 Burkholderia pseudomallei 1710b Burkholderia sp. 383 Burkholderia xenovorans LB400 Burkholderia ambifaria AMMD Burkholderia mallei NCTC 10229 Burkholderia pseudomallei 1106a Burkholderia vietnamiensis G4 Burkholderia cenocepacia MC0-3 Burkholderia ambifaria MC40-6 Burkholderia phymatum STM815 Burkholderia phytofirmans PsJN Burkholderia cenocepacia J2315 Caulobacter segnis ATCC 21756 Clostridium lentocellum DSM 5427 Cellvibrio japonicus Ueda107 Chitinophaga pinensis DSM 2588 Chlorobium tepidum TLS Chlorobium phaeobacteroides DSM 266 Chlorobium limicola DSM 245 Chloroflexus aurantiacus J-10-fl Chloroflexus aggregans DSM 9485 Chloroherpeton thalassium ATCC 35110 Citrobacter rodentium ICC168 Colwellia psychrerythraea 34H Cupriavidus metallidurans CH34 Cupriavidus taiwanensis LMG 19424 Cupriavidus necator N-1 Cyanothece sp. ATCC 51142 Cyanothece sp. PCC 8801 Cyanothece sp. PCC 7424 Dehalococcoides sp. VS Deinococcus deserti VCD115 Desulfitobacterium hafniense Y51 Desulfitobacterium hafniense DCB-2 Desulfobacterium autotrophicum HRM2 Desulfococcus oleovorans Hxd3 Desulfomicrobium baculatum DSM 4028 Desulfotalea psychrophila LSv54 Desulfovibrio vulgaris str. Hildenborough Desulfovibrio vulgaris DP4 Desulfovibrio magneticus RS-1 Desulfovibrio salexigens DSM 2638 Dinoroseobacter shibae DFL 12 Edwardsiella ictaluri 93-146 Enterobacter cloacae SCF1 Fervidobacterium nodosum Rt17-B1 Flavobacterium psychrophilum JIP02/86 Geobacter metallireducens GS-15 Geobacter uraniireducens Rf4 Geobacter lovleyi SZ Geobacter bemidjiensis Bem Geobacter sp. FRC-32 Geobacter sp. M18 Gloeobacter violaceus PCC 7421 Gluconacetobacter diazotrophicus PAl 5 Granulibacter bethesdensis CGDNIH1 Hahella chejuensis KCTC 2396 Halorhodospira halophila SL1 Heliobacterium modesticaldum Ice1 Herminiimonas arsenicoxydans Herpetosiphon aurantiacus DSM 785 Hyphomonas neptunium ATCC 15444 Ilyobacter polytropus DSM 2926 Jannaschia sp. CCS1 Janthinobacterium sp. Marseille Klebsiella pneumoniae 342 Kosmotoga olearia TBF 19.5.1 Leptospira borgpetersenii serovar Hardjo-bovis JB197 Leptothrix cholodnii SP-6 Magnetospirillum magneticum AMB-1 Marinobacter aquaeolei VT8 Marinomonas mediterranea MMB-1 Marinomonas posidonica IVIA-Po-181 Meiothermus silvanus DSM 9946 Methylibium petroleiphilum PM1 Methylobacillus flagellatus KT Methylobacterium chloromethanicum CM4 Methylobacterium nodulans ORS 2060 Methylobacterium extorquens AM1 Methylobacterium extorquens DM4 Methylocella silvestris BL2 Methylotenera mobilis JLW8 Methylovorus glucosetrophus SIP3-4 Microcystis aeruginosa NIES-843 Nostoc sp. PCC 7120 Nostoc punctiforme PCC 73102 Novosphingobium aromaticivorans DSM 12444 Geobacter sulfurreducens PCA Xanthomonas axonopodis pv. citri str. 306 Leptospira interrogans serovar Lai str. 56601 Chromobacterium violaceum ATCC 12472 Leptospira interrogans serovar Copenhageni str. Fiocruz L1-130 Thermus thermophilus HB27 Synechococcus sp. JA-2-3B'a(2-13) Syntrophomonas wolfei subsp. wolfei str. Goettingen Magnetococcus sp. MC-1 Sorangium cellulosum 'So ce 56' Thermodesulfovibrio yellowstonii DSM 11347 Gemmatimonas aurantiaca T-27 Thermanaerovibrio acidaminovorans DSM 6589 Deferribacter desulfuricans SSM1 Denitrovibrio acetiphilus DSM 12809 Calditerrivibrio nitroreducens DSM 19672 Thermus scotoductus SA-01 Rhodobacter capsulatus SB1003 Paracoccus denitrificans PD1222 Pelobacter carbinolicus DSM 2380 Pelobacter propionicus DSM 2379 Chlorobium luteolum DSM 273 Pelodictyon phaeoclathratiforme BU-1 Photobacterium profundum SS9 Photorhabdus luminescens subsp. laumondii TTO1 Photorhabdus asymbiotica subsp. asymbiotica ATCC 43949 Polaromonas sp. JS666 Polaromonas naphthalenivorans CJ2 Prochlorococcus marinus subsp. marinus str. CCMP1375 Prochlorococcus marinus str. MIT 9313 Prochlorococcus marinus subsp. pastoris str. CCMP1986 Prochlorococcus marinus str. NATL2A Prochlorococcus marinus str. MIT 9312 Prochlorococcus marinus str. AS9601 Prochlorococcus marinus str. MIT 9515 Prochlorococcus marinus str. NATL1A Prochlorococcus marinus str. MIT 9303 Prochlorococcus marinus str. MIT 9301 Prochlorococcus marinus str. MIT 9215 Prochlorococcus marinus str. MIT 9211 Prosthecochloris aestuarii DSM 271 Pseudoalteromonas haloplanktis TAC125 Pseudomonas syringae pv. tomato str. DC3000 Pseudomonas syringae pv. phaseolicola 1448A Pseudomonas syringae pv. syringae B728a Pseudomonas entomophila L48 Pseudomonas fulva 12-X Ralstonia solanacearum GMI1000 Rhizobium etli CFN 42 Rhizobium etli CIAT 652 Rhizobium leguminosarum bv. trifolii WSM1325 Rhodopseudomonas palustris CGA009 Rhodopseudomonas palustris HaA2 Rhodopseudomonas palustris BisB5 Rhodospirillum centenum SW Roseiflexus sp. RS-1 Roseiflexus castenholzii DSM 13941 Roseobacter denitrificans OCh 114 Roseobacter litoralis Och 149 Ruegeria pomeroyi DSS-3 Ruegeria sp. TM1040 Saccharophagus degradans 2-40 Salmonella enterica subsp. enterica serovar Paratyphi A str. Sebaldella termitidis ATCC 33386 Shewanella oneidensis MR-1 Shewanella sp. ANA-3 Shewanella amazonensis SB2B Shewanella sp. W3-18-1 Shewanella baltica OS155 Shewanella loihica PV-4 Shewanella sediminis HAW-EB3 Shewanella pealeana ATCC 700345 Shewanella baltica OS195 Shewanella halifaxensis HAW-EB4 Shewanella woodyi ATCC 51908 Shewanella piezotolerans WP3 Shewanella violacea DSS12 Shigella flexneri 2a str. 301 Shigella boydii Sb227 Shigella boydii CDC 3083-94 Sinorhizobium meliloti 1021 Sinorhizobium medicae WSM419 Sphingobium japonicum UT26S Spirochaeta thermophila DSM 6192 Synechococcus sp. WH 8102 Synechococcus sp. CC9902 Synechococcus sp. JA-3-3Ab Synechococcus sp. CC9311 Synechococcus sp. WH 7803 Synechococcus sp. RCC307 Syntrophobacter fumaroxidans MPOB Teredinibacter turnerae T7901 Thermosipho melanesiensis BI429 Thermosipho africanus TCF52B Thioalkalivibrio sp. K90mix Thiobacillus denitrificans ATCC 25259 Tolumonas auensis DSM 9187 Variovorax paradoxus EPS Vibrio vulnificus CMCP6 Vibrio vulnificus YJ016 Vibrio splendidus LGP32 Xanthobacter autotrophicus Py2 Xanthomonas oryzae pv. oryzae KACC10331 Xanthomonas campestris pv. vesicatoria str. 85-10 Xanthomonas oryzae pv. oryzae PXO99A Xenorhabdus bovienii SS-2004 Xenorhabdus nematophila ATCC 19061 Atlantibacter hermannii NBRC 105704 Klebsiella michiganensis KCTC 1686 Hungatella hathewayi DSM 13479 Veillonella seminalis ACS-216-V-Col6b Veillonella sp. 6_1_27

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0018829	N1-(5-Phospho-a-D-ribosyl)-5,6-dimethylbenzimidazole	Adenosylcobalamin 5'-phosphate	Adenosylcobinamide-GDP ribazoletransferase	Transfer of ribazole	PathBank	31602464
MMDBr0024467	Guanosine triphosphate	GMP	RNA 3'-terminal phosphate cyclase	Cycle formation	RHEA	34755880
MMDBr0025985	Guanosine triphosphate	GMP	Unknown Protein		RHEA	34755880
MMDBr0025986	Guanosine triphosphate	GMP	RNA-splicing ligase RtcB	Ligation	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Proteobacteria	375	Human ; Human feces; Human feces; pleural fluid plaque; bal; Sheep ; Pig ; River trout ; Turkey ; Dog ; Chicken ; Cattle ; Lion	Unknown
Bacteria/Eubacteria	Firmicutes	155	Human feces; Human ; Catfish ; Cattle ; Human saliva
Bacteria/Eubacteria	Chlorobi	11
Bacteria/Eubacteria	Actinobacteria	42	Human ; Cattle ; Human feces
Bacteria/Eubacteria	Deinococcus-thermus	5
Bacteria	Proteobacteria	4	Human ; Human feces; Human feces; pleural fluid plaque; bal; Sheep ; Pig ; River trout ; Turkey ; Dog ; Chicken ; Cattle ; Lion	Unknown
Bacteria/Eubacteria	Thermotogae	8
Bacteria/Eubacteria	Fusobacteria	1	Human ; Human feces
Archaea/Archaea	Euryarchaeota	54
Bacteria/Eubacteria	Chloroflexi	5
Bacteria/Eubacteria	Spirochaetes	9	Human ; Pig
Bacteria/Eubacteria	Cyanobacteria	29
Archaea/Archaea	Crenarchaeota	13
Archaea	Crenarchaeota	1
Bacteria	nah	1
Bacteria/Eubacteria	Nitrospirae	1
Bacteria/Eubacteria	Tenericutes	16	Goat ; Human ; Pig
Bacteria/Eubacteria	Bacteroidetes	12	Human ; Human feces
Bacteria/Eubacteria	Chlamydiae	8	Human ; Sheep ; Cat
Bacteria/Eubacteria	Acidobacteria	1
Bacteria/Eubacteria	Planctomycetes	1
Eukaryota/Fungi	Ascomycota	13
Bacteria	Actinobacteria	1	Human ; Cattle ; Human feces
Bacteria/Eubacteria	Aquificae	1
Archaea	Euryarchaeota	3
Bacteria	Firmicutes	1	Human feces; Human ; Catfish ; Cattle ; Human saliva
Bacteria/Eubacteria	Elusimicrobia	1
Bacteria/Eubacteria	Gemmatimonadetes	1
Bacteria/Eubacteria	Verrucomicrobia	1
Bacteria	Tenericutes	1	Goat ; Human ; Pig
Eukaryota/Fungi	Basidiomycota	1

Exposure Sources

Food Exposures

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0257693

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB012390

KNApSAcK ID

Not Available

Chemspider ID

741

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Guanosine monophosphate

METLIN ID

Not Available

PubChem Compound

135400774

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for GMP (MMDBc0031799)

MOL for #<Metabolite:0x00007f9aafa02638>

3D MOL for #<Metabolite:0x00007f9aafa02638>

3D SDF for #<Metabolite:0x00007f9aafa02638>

3D-SDF for #<Metabolite:0x00007f9aafa02638>

PDB for #<Metabolite:0x00007f9aafa02638>

3D PDB for #<Metabolite:0x00007f9aafa02638>

SMILES for #<Metabolite:0x00007f9aafa02638>

INCHI for #<Metabolite:0x00007f9aafa02638>

Structure for #<Metabolite:0x00007f9aafa02638>

3D Structure for #<Metabolite:0x00007f9aafa02638>