MiMeDB: Showing metabocard for N(2)-(1-hydroxy-2-oxopropyl)-GTP (MMDBc0056175)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:18:45 UTC

Update Date

2025-10-07 16:09:37 UTC

Metabolite ID

MMDBc0056175

Metabolite Identification

Common Name

N(2)-(1-hydroxy-2-oxopropyl)-GTP

Description

N(2)-(1-hydroxy-2-oxopropyl)-GTP is a nucleotide derivative belonging to the class of guanosine triphosphate (GTP) analogs. There is limited literature available on this metabolite, indicating a need for further research to understand its biological significance and potential applications.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222182D          

 42 44  0  0  1  0            999 V2000
    4.9279   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    4.2135   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -3.2299    0.0000 C   0  0  2  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  2  0  0  0  0  0  0  0  0  0
    0.0865   -2.8174    0.0000 C   0  0  2  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
    3.4990   -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  2  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
   -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
    2.7845   -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
    4.2135   -2.3479    0.0000 O   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
    3.4990   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.7813   -4.6479    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.5988   -3.4955    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.6289   -4.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -3.1968    0.0000 O   0  5  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
   -4.3572   -3.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0283   -4.7673    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
   -5.4464   -3.6780    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
   -6.1138   -4.1630    0.0000 P   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
   -4.6927   -4.0136    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540   -4.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4164   -3.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -2.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -1.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818   -1.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  1  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 14  3  2  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 18  9  1  0  0  0  0
 12 18  1  1  0  0  0
 19  4  2  0  0  0  0
  7 20  1  6  0  0  0
  8 21  1  6  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 31  2  1  0  0  0  0
 32  5  1  0  0  0  0
 32 12  1  0  0  0  0
 35 24  1  0  0  0  0
 35 25  1  0  0  0  0
 35 26  2  0  0  0  0
 35 33  1  0  0  0  0
 36 27  1  0  0  0  0
 36 28  2  0  0  0  0
 36 31  1  0  0  0  0
 36 34  1  0  0  0  0
 37 29  1  0  0  0  0
 37 30  2  0  0  0  0
 37 33  1  0  0  0  0
 37 34  1  0  0  0  0
  5 38  1  6  0  0  0
  7 39  1  1  0  0  0
  8 40  1  1  0  0  0
 41 10  1  0  0  0  0
 12 42  1  6  0  0  0
M  CHG  4  23  -1  24  -1  25  -1  27  -1
M  END


  Mrv1652306172222182D          

 42 44  0  0  1  0            999 V2000
    4.9279   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    4.2135   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -3.2299    0.0000 C   0  0  2  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  2  0  0  0  0  0  0  0  0  0
    0.0865   -2.8174    0.0000 C   0  0  2  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
    3.4990   -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  2  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
   -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
    2.7845   -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
    4.2135   -2.3479    0.0000 O   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
    3.4990   -0.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3556    0.9521    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.7813   -4.6479    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.5988   -3.4955    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -5.6289   -4.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -3.1968    0.0000 O   0  5  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
   -4.3572   -3.2599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0283   -4.7673    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
   -5.4464   -3.6780    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
   -6.1138   -4.1630    0.0000 P   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
   -4.6927   -4.0136    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0540   -4.0448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4164   -3.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610   -2.0824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4990   -1.9354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9818   -1.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  1  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  6  2  0  0  0  0
 10  4  1  0  0  0  0
 11  6  1  0  0  0  0
 12  8  1  0  0  0  0
 14  3  2  0  0  0  0
 14  6  1  0  0  0  0
 15  9  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18  3  1  0  0  0  0
 18  9  1  0  0  0  0
 12 18  1  1  0  0  0
 19  4  2  0  0  0  0
  7 20  1  6  0  0  0
  8 21  1  6  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
 31  2  1  0  0  0  0
 32  5  1  0  0  0  0
 32 12  1  0  0  0  0
 35 24  1  0  0  0  0
 35 25  1  0  0  0  0
 35 26  2  0  0  0  0
 35 33  1  0  0  0  0
 36 27  1  0  0  0  0
 36 28  2  0  0  0  0
 36 31  1  0  0  0  0
 36 34  1  0  0  0  0
 37 29  1  0  0  0  0
 37 30  2  0  0  0  0
 37 33  1  0  0  0  0
 37 34  1  0  0  0  0
  5 38  1  6  0  0  0
  7 39  1  1  0  0  0
  8 40  1  1  0  0  0
 41 10  1  0  0  0  0
 12 42  1  6  0  0  0
M  CHG  4  23  -1  24  -1  25  -1  27  -1
M  END
> <DATABASE_ID>
MMDBc0056175

> <DATABASE_NAME>
MIME

> <SMILES>
[H]C(O)(NC1=NC2=C(N=CN2[C@]2([H])O[C@]([H])(COP([O-])(=O)OP(O)(=O)OP([O-])([O-])=O)[C@@]([H])(O)[C@@]2([H])O)C([O-])=N1)C(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H20N5O16P3/c1-4(19)10(22)16-13-15-9-6(11(23)17-13)14-3-18(9)12-8(21)7(20)5(32-12)2-31-36(27,28)34-37(29,30)33-35(24,25)26/h3,5,7-8,10,12,20-22H,2H2,1H3,(H,27,28)(H,29,30)(H2,24,25,26)(H2,15,16,17,23)/p-4/t5-,7-,8-,10?,12-/m1/s1

> <INCHI_KEY>
FWHMENQXRRHGQH-OOPGLKBPSA-J

> <FORMULA>
C13H16N5O16P3

> <MOLECULAR_WEIGHT>
591.213

> <EXACT_MASS>
590.982684769

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
45.863132172619835

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
-4

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[hydroxy(phosphonooxy)phosphoryl phosphono]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]-9H-purin-6-olate

> <JCHEM_LOGP>
-3.1185459037484287

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.5322521075708875

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.9331539391390478

> <JCHEM_PKA_STRONGEST_BASIC>
-0.17279902479604747

> <JCHEM_POLAR_SURFACE_AREA>
333.9900000000001

> <JCHEM_REFRACTIVITY>
121.25389999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[hydroxy(phosphonooxy)phosphoryl phosphono]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]purin-6-olate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0       9.199  -2.073   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.454  -6.934   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.173  -1.303   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.865  -2.843   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.208  -6.029   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.744  -6.505   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.161  -5.259   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.531  -2.073   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.744  -4.013   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      -0.268  -0.057   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0       2.530  -2.843   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       5.198  -2.843   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0       3.864  -0.533   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      -0.268  -2.549   0.000  0.00  0.00           N+0
HETATM   19  O   UNK     0       7.865  -4.383   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -0.268  -7.970   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.701  -5.259   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       6.531  -0.533   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       2.530   1.777   0.000  0.00  0.00           O-1
HETATM   24  O   UNK     0     -12.658  -8.676   0.000  0.00  0.00           O-1
HETATM   25  O   UNK     0     -12.318  -6.525   0.000  0.00  0.00           O-1
HETATM   26  O   UNK     0     -10.507  -9.017   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -7.012  -5.967   0.000  0.00  0.00           O-1
HETATM   28  O   UNK     0      -5.202  -8.459   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -8.133  -6.085   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -9.386  -8.899   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -4.861  -6.308   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.208  -4.489   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0     -10.167  -6.866   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -7.353  -8.118   0.000  0.00  0.00           O+0
HETATM   35  P   UNK     0     -11.413  -7.771   0.000  0.00  0.00           P+0
HETATM   36  P   UNK     0      -6.107  -7.213   0.000  0.00  0.00           P+0
HETATM   37  P   UNK     0      -8.760  -7.492   0.000  0.00  0.00           P+0
HETATM   38  H   UNK     0      -1.967  -7.550   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0       0.777  -6.746   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0       0.861  -3.887   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0       6.531  -3.613   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0      -1.833  -2.924   0.000  0.00  0.00           H+0
CONECT    1    4                                                            
CONECT    2    5   31                                                       
CONECT    3   14   18                                                       
CONECT    4    1   10   19                                                  
CONECT    5    2    7   32   38                                             
CONECT    6    9   11   14                                                  
CONECT    7    5    8   20   39                                             
CONECT    8    7   12   21   40                                             
CONECT    9    6   15   18                                                  
CONECT   10    4   16   22   41                                             
CONECT   11    6   17   23                                                  
CONECT   12    8   18   32   42                                             
CONECT   13   15   16   17                                                  
CONECT   14    3    6                                                       
CONECT   15    9   13                                                       
CONECT   16   10   13                                                       
CONECT   17   11   13                                                       
CONECT   18    3    9   12                                                  
CONECT   19    4                                                            
CONECT   20    7                                                            
CONECT   21    8                                                            
CONECT   22   10                                                            
CONECT   23   11                                                            
CONECT   24   35                                                            
CONECT   25   35                                                            
CONECT   26   35                                                            
CONECT   27   36                                                            
CONECT   28   36                                                            
CONECT   29   37                                                            
CONECT   30   37                                                            
CONECT   31    2   36                                                       
CONECT   32    5   12                                                       
CONECT   33   35   37                                                       
CONECT   34   36   37                                                       
CONECT   35   24   25   26   33                                             
CONECT   36   27   28   31   34                                             
CONECT   37   29   30   33   34                                             
CONECT   38    5                                                            
CONECT   39    7                                                            
CONECT   40    8                                                            
CONECT   41   10                                                            
CONECT   42   12                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   88    0
END

Synonyms

Value	Source
9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-({[hydroxy(phosphonatooxy)phosphoryl phosphonato]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]-9H-purin-6-olic acid	Generator

Molecular Formula

C₁₃H₁₆N₅O₁₆P₃

Average Mass

591.213

Monoisotopic Mass

590.982684769

IUPAC Name

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[hydroxy(phosphonooxy)phosphoryl phosphono]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]-9H-purin-6-olate

Traditional Name

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-({[hydroxy(phosphonooxy)phosphoryl phosphono]oxy}methyl)oxolan-2-yl]-2-[(1-hydroxy-2-oxopropyl)amino]purin-6-olate

CAS Registry Number

Not Available

SMILES

[H]C(O)(NC1=NC2=C(N=CN2[C@]2([H])O[C@]([H])(COP([O-])(=O)OP(O)(=O)OP([O-])([O-])=O)[C@@]([H])(O)[C@@]2([H])O)C([O-])=N1)C(C)=O

InChI Identifier

InChI=1S/C13H20N5O16P3/c1-4(19)10(22)16-13-15-9-6(11(23)17-13)14-3-18(9)12-8(21)7(20)5(32-12)2-31-36(27,28)34-37(29,30)33-35(24,25)26/h3,5,7-8,10,12,20-22H,2H2,1H3,(H,27,28)(H,29,30)(H2,24,25,26)(H2,15,16,17,23)/p-4/t5-,7-,8-,10?,12-/m1/s1

InChI Key

FWHMENQXRRHGQH-OOPGLKBPSA-J

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside triphosphates

Alternative Parents

Substituents

Purine ribonucleoside triphosphate
Purine ribonucleoside monophosphate
Pentose-5-phosphate
Pentose phosphate
N-glycosyl compound
Glycosyl compound
Monosaccharide phosphate
Hypoxanthine
6-oxopurine
Purine
Imidazopyrimidine
Secondary aliphatic/aromatic amine
Pyrimidone
Alkyl phosphate
Pyrimidine
Phosphoric acid ester
Organic phosphoric acid derivative
N-substituted imidazole
Monosaccharide
Heteroaromatic compound
Vinylogous amide
Tetrahydrofuran
Imidazole
Azole
Alpha-hydroxy ketone
Secondary alcohol
Lactam
Ketone
1,2-diol
Oxacycle
Azacycle
Organoheterocyclic compound
Secondary amine
Alkanolamine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Alcohol
Organic anion
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
logP	-3.1	ChemAxon
pKa (Strongest Acidic)	0.93	ChemAxon
pKa (Strongest Basic)	-0.17	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	333.99 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	121.25 m³·mol⁻¹	ChemAxon
Polarizability	45.86 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	Yes	ChemAxon

Spectra

Spectrum Type	Description	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-17	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)	2025-10-24	490.1
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	227.4
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-24	364.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	502.7
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	384.1
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	188.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	1908.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	154.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	873.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	155.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	233.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	137.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	72.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	440.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	402.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	72.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	221.0
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1258.2
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	685.3

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_1	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	1986.47
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_2	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-24	1688.26
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_3	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	2629.11
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_4	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-24	2435.96
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_5	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-24	3362.42
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_6	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-24	1944.92
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_7	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1348.76
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_8	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	2832.5
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_9	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	2502.72
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_10	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	2898.95
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_11	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	2716.23
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_12	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	1941.76
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_13	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1791.69
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_14	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	2118.7
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_15	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-24	3005.4
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_16	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-24	2290.82
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_17	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-24	1973.45
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_18	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1275.83
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_19	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	1797.36
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_20	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	2729.13
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_21	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	2217.11
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_22	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2448.71
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_23	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-24	2166.16
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_24	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard non polar	2025-10-24	2275.38
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_25	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2742.91
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_26	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1536.23
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_27	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1437.95
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_28	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	1870.5
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_29	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	2231.15
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_30	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	2855.12
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_31	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	615.446
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_32	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2048.56
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_33	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	2250.78
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_34	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	1825.61
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_35	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	1530.17
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_36	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1739.07
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_37	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	1341.46
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_38	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	512.748
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_39	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2023.9
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_40	CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2474.11
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_41	C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1442.08
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_42	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	1761.44
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_43	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	2508.65
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_44	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	2154.89
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_45	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2460.01
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_46	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-24	3195.99
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_47	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard non polar	2025-10-24	1286.46
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_48	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1368.21
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_49	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	883.651
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_50	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1921.45
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_51	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	489.697
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_52	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	1861.24
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_53	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2428.18
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_54	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1865.75
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_55	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2051.62
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_56	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	486.217
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_57	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2289.39
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_58	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	2142.39
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_59	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	842.587
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_60	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	1508.65
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_61	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2404.0
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_62	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	1429.88
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_63	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	1921.63
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_64	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2408.57
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_65	CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2516.93
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_66	C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1245.04
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_67	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	771.624
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_68	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard non polar	2025-10-24	2401.11
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_69	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1879.12
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_70	CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1239.04
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_71	C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	3383.7
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_72	CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2872.25
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_73	C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	824.605
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_74	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	2119.42
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_75	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard non polar	2025-10-24	2217.27
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_76	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	713.517
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_77	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1501.13
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_78	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2378.19
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_79	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1948.34
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_80	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	2062.94
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_81	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1337.86
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_82	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard non polar	2025-10-24	1988.34
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_1	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2673.11
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_2	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-24	2378.77
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_3	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	1905.85
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_4	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-24	2000.45
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_5	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-24	3105.57
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_6	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-24	1904.16
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_7	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	3086.63
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_8	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	1547.31
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_9	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2762.92
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_10	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2518.32
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_11	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2822.61
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_12	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2487.77
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_13	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	3017.41
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_14	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	771.361
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_15	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-24	734.03
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_16	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-24	1623.88
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_17	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-24	1756.06
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_18	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1907.67
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_19	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	1440.49
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_20	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	2865.52
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_21	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	2959.32
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_22	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1906.82
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_23	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-24	1009.72
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_24	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1	standard polar	2025-10-24	1590.58
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_25	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	824.155
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_26	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2818.05
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_27	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2439.32
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_28	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2553.85
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_29	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	1676.93
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_30	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	1687.55
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_31	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	3184.68
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_32	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1755.04
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_33	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2202.03
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_34	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	543.777
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_35	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2589.17
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_36	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2153.68
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_37	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2271.9
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_38	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2015.41
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_39	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	3660.21
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_40	CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2175.99
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_41	C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2315.75
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_42	CC(=O)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	2299.33
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_43	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	3115.02
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_44	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	3018.77
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_45	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1951.93
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_46	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-24	3131.85
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_47	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1	standard polar	2025-10-24	3345.44
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_48	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2562.03
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_49	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1433.73
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_50	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	856.263
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_51	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	1659.09
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_52	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	1492.66
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_53	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2446.02
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_54	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2261.11
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_55	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1492.83
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_56	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	3407.7
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_57	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2038.43
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_58	CC(=O)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2184.2
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_59	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	1280.44
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_60	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	1317.73
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_61	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2589.48
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_62	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2813.82
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_63	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2023.41
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_64	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2235.78
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_65	CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	876.299
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_66	C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2043.1
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_67	CC(O[Si](C)(C)C)=C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2333.15
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_68	C=C(O[Si](C)(C)C)C(NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)O[Si](C)(C)C	standard polar	2025-10-24	2342.33
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_69	CC(=O)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1718.41
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_70	CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2202.44
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_71	C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	3086.71
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_72	CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2617.14
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_73	C=C(O[Si](C)(C)C)C(O[Si](C)(C)C)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1785.78
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_74	CC(O[Si](C)(C)C)=C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	-295.598
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_75	C=C(O[Si](C)(C)C)C(O)NC1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1	standard polar	2025-10-24	3282.05
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_76	CC(=O)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1519.83
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_77	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	3045.29
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_78	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1811.45
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_79	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	815.43
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_80	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]3O)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1494.01
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_81	CC(O[Si](C)(C)C)=C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	1796.52
Gas Chromatography	N(2)-(1-hydroxy-2-oxopropyl)-GTP_TMS_82	C=C(O[Si](C)(C)C)C(O)N(C1=NC([O-])=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)(O[Si](C)(C)C)OP(=O)([O-])[O-])[C@@H](O)[C@H]3O[Si](C)(C)C)C2=N1)[Si](C)(C)C	standard polar	2025-10-24	2536.06

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

Not Available

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

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
Bacteria/Eubacteria	Proteobacteria	26	Human ; Human feces
Bacteria	Proteobacteria	2	Human ; Human feces
Bacteria/Eubacteria	Firmicutes	14	Human ; Cattle

Exposure Sources

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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

134716605

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for N(2)-(1-hydroxy-2-oxopropyl)-GTP (MMDBc0056175)

MOL for #<Metabolite:0x00007fc925cd1f18>

3D MOL for #<Metabolite:0x00007fc925cd1f18>

3D SDF for #<Metabolite:0x00007fc925cd1f18>

3D-SDF for #<Metabolite:0x00007fc925cd1f18>

PDB for #<Metabolite:0x00007fc925cd1f18>

3D PDB for #<Metabolite:0x00007fc925cd1f18>

SMILES for #<Metabolite:0x00007fc925cd1f18>

INCHI for #<Metabolite:0x00007fc925cd1f18>

Structure for #<Metabolite:0x00007fc925cd1f18>

3D Structure for #<Metabolite:0x00007fc925cd1f18>