MiMeDB: Showing metabocard for N(7)-methyl-GTP (MMDBc0056201)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:19:24 UTC

Update Date

2025-10-07 16:09:39 UTC

Metabolite ID

MMDBc0056201

Metabolite Identification

Common Name

N(7)-methyl-GTP

Description

N(7)-methyl-GTP is a nucleotide derivative belonging to the class of guanosine triphosphates. There is limited literature available on this metabolite, indicating that further research may be needed to fully understand its biological significance and potential roles in metabolic pathways.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222192D          

 37 39  0  0  1  0            999 V2000
   -0.3984    0.7541    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
   -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
    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
    2.7845   -1.5229    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   -0.0305    0.0000 N   0  3  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  5  0  0  0  0  0  0  0  0  0  0
   -6.7813   -4.6479    0.0000 O   0  0  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  5  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
   -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  5  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
   -0.9818   -1.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  1  1  0  0  0  0
 15  3  2  0  0  0  0
 15  5  1  0  0  0  0
 16  3  1  0  0  0  0
 16  8  1  0  0  0  0
 10 16  1  1  0  0  0
  6 17  1  6  0  0  0
  7 18  1  6  0  0  0
 19  9  1  0  0  0  0
 27  2  1  0  0  0  0
 28  4  1  0  0  0  0
 28 10  1  0  0  0  0
 31 20  2  0  0  0  0
 31 21  1  0  0  0  0
 31 22  1  0  0  0  0
 31 29  1  0  0  0  0
 32 23  1  0  0  0  0
 32 24  2  0  0  0  0
 32 27  1  0  0  0  0
 32 30  1  0  0  0  0
 33 25  2  0  0  0  0
 33 26  1  0  0  0  0
 33 29  1  0  0  0  0
 33 30  1  0  0  0  0
  4 34  1  6  0  0  0
  6 35  1  1  0  0  0
  7 36  1  1  0  0  0
 10 37  1  6  0  0  0
M  CHG  5  15   1  19  -1  21  -1  22  -1  26  -1
M  END


  Mrv1652306172222192D          

 37 39  0  0  1  0            999 V2000
   -0.3984    0.7541    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
   -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
    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
    2.7845   -1.5229    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   -0.0305    0.0000 N   0  3  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  5  0  0  0  0  0  0  0  0  0  0
   -6.7813   -4.6479    0.0000 O   0  0  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  5  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
   -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  5  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
   -0.9818   -1.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  2  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 12 11  2  0  0  0  0
 13  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14  9  2  0  0  0  0
 14 11  1  0  0  0  0
 15  1  1  0  0  0  0
 15  3  2  0  0  0  0
 15  5  1  0  0  0  0
 16  3  1  0  0  0  0
 16  8  1  0  0  0  0
 10 16  1  1  0  0  0
  6 17  1  6  0  0  0
  7 18  1  6  0  0  0
 19  9  1  0  0  0  0
 27  2  1  0  0  0  0
 28  4  1  0  0  0  0
 28 10  1  0  0  0  0
 31 20  2  0  0  0  0
 31 21  1  0  0  0  0
 31 22  1  0  0  0  0
 31 29  1  0  0  0  0
 32 23  1  0  0  0  0
 32 24  2  0  0  0  0
 32 27  1  0  0  0  0
 32 30  1  0  0  0  0
 33 25  2  0  0  0  0
 33 26  1  0  0  0  0
 33 29  1  0  0  0  0
 33 30  1  0  0  0  0
  4 34  1  6  0  0  0
  6 35  1  1  0  0  0
  7 36  1  1  0  0  0
 10 37  1  6  0  0  0
M  CHG  5  15   1  19  -1  21  -1  22  -1  26  -1
M  END
> <DATABASE_ID>
MMDBc0056201

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@]1(COP(O)(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@@]([H])(N2C=[N+](C)C3=C2NC(=N)N=C3[O-])[C@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p-3/t4-,6-,7-,10-/m1/s1

> <INCHI_KEY>
DKVRNHPCAOHRSI-KQYNXXCUSA-K

> <FORMULA>
C11H15N5O14P3

> <MOLECULAR_WEIGHT>
534.185

> <EXACT_MASS>
533.984481917

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
40.97330214746628

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
-3

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_LOGP>
-6.99121044613841

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
2.443253237486372

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8929586906806786

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6689691333781216

> <JCHEM_POLAR_SURFACE_AREA>
298.11000000000007

> <JCHEM_REFRACTIVITY>
120.19879999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <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      -0.744   1.408   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      -2.208  -6.029   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.197  -0.533   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.744  -6.505   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.161  -5.259   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.197  -2.073   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.530   0.237   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.744  -4.013   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.864  -2.073   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       5.198  -2.843   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  -0.057   0.000  0.00  0.00           N+1
HETATM   16  N   UNK     0      -0.268  -2.549   0.000  0.00  0.00           N+0
HETATM   17  O   UNK     0      -0.268  -7.970   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       1.701  -5.259   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       2.530   1.777   0.000  0.00  0.00           O-1
HETATM   20  O   UNK     0     -12.658  -8.676   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0     -12.318  -6.525   0.000  0.00  0.00           O-1
HETATM   22  O   UNK     0     -10.507  -9.017   0.000  0.00  0.00           O-1
HETATM   23  O   UNK     0      -7.012  -5.967   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -5.202  -8.459   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -8.133  -6.085   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -9.386  -8.899   0.000  0.00  0.00           O-1
HETATM   27  O   UNK     0      -4.861  -6.308   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -2.208  -4.489   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0     -10.167  -6.866   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -7.353  -8.118   0.000  0.00  0.00           O+0
HETATM   31  P   UNK     0     -11.413  -7.771   0.000  0.00  0.00           P+0
HETATM   32  P   UNK     0      -6.107  -7.213   0.000  0.00  0.00           P+0
HETATM   33  P   UNK     0      -8.760  -7.492   0.000  0.00  0.00           P+0
HETATM   34  H   UNK     0      -1.967  -7.550   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       0.777  -6.746   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       0.861  -3.887   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0      -1.833  -2.924   0.000  0.00  0.00           H+0
CONECT    1   15                                                            
CONECT    2    4   27                                                       
CONECT    3   15   16                                                       
CONECT    4    2    6   28   34                                             
CONECT    5    8    9   15                                                  
CONECT    6    4    7   17   35                                             
CONECT    7    6   10   18   36                                             
CONECT    8    5   13   16                                                  
CONECT    9    5   14   19                                                  
CONECT   10    7   16   28   37                                             
CONECT   11   12   13   14                                                  
CONECT   12   11                                                            
CONECT   13    8   11                                                       
CONECT   14    9   11                                                       
CONECT   15    1    3    5                                                  
CONECT   16    3    8   10                                                  
CONECT   17    6                                                            
CONECT   18    7                                                            
CONECT   19    9                                                            
CONECT   20   31                                                            
CONECT   21   31                                                            
CONECT   22   31                                                            
CONECT   23   32                                                            
CONECT   24   32                                                            
CONECT   25   33                                                            
CONECT   26   33                                                            
CONECT   27    2   32                                                       
CONECT   28    4   10                                                       
CONECT   29   31   33                                                       
CONECT   30   32   33                                                       
CONECT   31   20   21   22   29                                             
CONECT   32   23   24   27   30                                             
CONECT   33   25   26   29   30                                             
CONECT   34    4                                                            
CONECT   35    6                                                            
CONECT   36    7                                                            
CONECT   37   10                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   78    0
END

Synonyms

Value	Source
m(7)GTP(3-)	ChEBI
N(7)-Methyl-GTP	ChEBI

Molecular Formula

C₁₁H₁₅N₅O₁₄P₃

Average Mass

534.185

Monoisotopic Mass

533.984481917

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@]1(COP(O)(=O)OP([O-])(=O)OP([O-])([O-])=O)O[C@@]([H])(N2C=[N+](C)C3=C2NC(=N)N=C3[O-])[C@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p-3/t4-,6-,7-,10-/m1/s1

InChI Key

DKVRNHPCAOHRSI-KQYNXXCUSA-K

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organophosphate oxoanion (CHEBI:87133 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-7	ChemAxon
pKa (Strongest Acidic)	0.89	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	298.11 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	120.2 m³·mol⁻¹	ChemAxon
Polarizability	40.97 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

Not Available

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	511.8
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	334.1
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	334.1
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	438.0
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	341.4
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	203.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	1159.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	344.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-24	691.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	140.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	331.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	157.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	61.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	495.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	470.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	62.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-24	200.3
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	947.4
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	594.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	N(7)-methyl-GTP_TMS_1	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)[NH]2	standard non polar	2025-10-24	2254.93
Gas Chromatography	N(7)-methyl-GTP_TMS_2	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N)[NH]2	standard non polar	2025-10-24	1752.5
Gas Chromatography	N(7)-methyl-GTP_TMS_3	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N)[NH]2	standard non polar	2025-10-24	2417.77
Gas Chromatography	N(7)-methyl-GTP_TMS_4	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard non polar	2025-10-24	899.534
Gas Chromatography	N(7)-methyl-GTP_TMS_5	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard non polar	2025-10-24	2489.2
Gas Chromatography	N(7)-methyl-GTP_TMS_6	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)[NH]2	standard non polar	2025-10-24	1687.46
Gas Chromatography	N(7)-methyl-GTP_TMS_7	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)[NH]2	standard non polar	2025-10-24	2469.12
Gas Chromatography	N(7)-methyl-GTP_TMS_8	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard non polar	2025-10-24	1787.1
Gas Chromatography	N(7)-methyl-GTP_TMS_9	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard non polar	2025-10-24	2128.51
Gas Chromatography	N(7)-methyl-GTP_TMS_10	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N)[NH]2	standard non polar	2025-10-24	1633.0
Gas Chromatography	N(7)-methyl-GTP_TMS_11	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard non polar	2025-10-24	1446.68
Gas Chromatography	N(7)-methyl-GTP_TMS_12	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard non polar	2025-10-24	1947.1
Gas Chromatography	N(7)-methyl-GTP_TMS_13	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard non polar	2025-10-24	1915.3
Gas Chromatography	N(7)-methyl-GTP_TMS_14	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard non polar	2025-10-24	1719.54
Gas Chromatography	N(7)-methyl-GTP_TMS_15	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard non polar	2025-10-24	2342.23
Gas Chromatography	N(7)-methyl-GTP_TMS_16	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)[NH]2	standard non polar	2025-10-24	1930.32
Gas Chromatography	N(7)-methyl-GTP_TMS_17	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard non polar	2025-10-24	1318.26
Gas Chromatography	N(7)-methyl-GTP_TMS_18	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard non polar	2025-10-24	2293.14
Gas Chromatography	N(7)-methyl-GTP_TMS_19	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard non polar	2025-10-24	1737.23
Gas Chromatography	N(7)-methyl-GTP_TMS_20	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard non polar	2025-10-24	2657.26
Gas Chromatography	N(7)-methyl-GTP_TMS_21	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard non polar	2025-10-24	1206.67
Gas Chromatography	N(7)-methyl-GTP_TMS_22	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard non polar	2025-10-24	1514.8
Gas Chromatography	N(7)-methyl-GTP_TMS_23	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard non polar	2025-10-24	2944.66
Gas Chromatography	N(7)-methyl-GTP_TMS_24	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard non polar	2025-10-24	1179.11
Gas Chromatography	N(7)-methyl-GTP_TMS_25	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard non polar	2025-10-24	1474.21
Gas Chromatography	N(7)-methyl-GTP_TMS_26	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard non polar	2025-10-24	2003.65
Gas Chromatography	N(7)-methyl-GTP_TMS_27	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard non polar	2025-10-24	1110.63
Gas Chromatography	N(7)-methyl-GTP_TMS_28	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard non polar	2025-10-24	1383.8
Gas Chromatography	N(7)-methyl-GTP_TMS_29	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard non polar	2025-10-24	2106.02
Gas Chromatography	N(7)-methyl-GTP_TMS_30	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard non polar	2025-10-24	2535.67
Gas Chromatography	N(7)-methyl-GTP_TMS_31	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard non polar	2025-10-24	2004.0
Gas Chromatography	N(7)-methyl-GTP_TMS_1	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)[NH]2	standard polar	2025-10-24	2905.07
Gas Chromatography	N(7)-methyl-GTP_TMS_2	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N)[NH]2	standard polar	2025-10-24	1318.5
Gas Chromatography	N(7)-methyl-GTP_TMS_3	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N)[NH]2	standard polar	2025-10-24	2599.54
Gas Chromatography	N(7)-methyl-GTP_TMS_4	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard polar	2025-10-24	2666.06
Gas Chromatography	N(7)-methyl-GTP_TMS_5	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard polar	2025-10-24	2699.12
Gas Chromatography	N(7)-methyl-GTP_TMS_6	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)[NH]2	standard polar	2025-10-24	3406.09
Gas Chromatography	N(7)-methyl-GTP_TMS_7	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)[NH]2	standard polar	2025-10-24	2650.82
Gas Chromatography	N(7)-methyl-GTP_TMS_8	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard polar	2025-10-24	1655.54
Gas Chromatography	N(7)-methyl-GTP_TMS_9	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard polar	2025-10-24	2213.98
Gas Chromatography	N(7)-methyl-GTP_TMS_10	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N)[NH]2	standard polar	2025-10-24	1140.53
Gas Chromatography	N(7)-methyl-GTP_TMS_11	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard polar	2025-10-24	2541.38
Gas Chromatography	N(7)-methyl-GTP_TMS_12	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard polar	2025-10-24	3450.52
Gas Chromatography	N(7)-methyl-GTP_TMS_13	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard polar	2025-10-24	2726.09
Gas Chromatography	N(7)-methyl-GTP_TMS_14	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard polar	2025-10-24	1935.95
Gas Chromatography	N(7)-methyl-GTP_TMS_15	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard polar	2025-10-24	1785.3
Gas Chromatography	N(7)-methyl-GTP_TMS_16	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)[NH]2	standard polar	2025-10-24	2293.51
Gas Chromatography	N(7)-methyl-GTP_TMS_17	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard polar	2025-10-24	2021.31
Gas Chromatography	N(7)-methyl-GTP_TMS_18	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard polar	2025-10-24	2082.03
Gas Chromatography	N(7)-methyl-GTP_TMS_19	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard polar	2025-10-24	1130.27
Gas Chromatography	N(7)-methyl-GTP_TMS_20	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard polar	2025-10-24	556.489
Gas Chromatography	N(7)-methyl-GTP_TMS_21	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard polar	2025-10-24	2632.91
Gas Chromatography	N(7)-methyl-GTP_TMS_22	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard polar	2025-10-24	2368.01
Gas Chromatography	N(7)-methyl-GTP_TMS_23	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard polar	2025-10-24	3519.29
Gas Chromatography	N(7)-methyl-GTP_TMS_24	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard polar	2025-10-24	3952.01
Gas Chromatography	N(7)-methyl-GTP_TMS_25	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard polar	2025-10-24	1803.73
Gas Chromatography	N(7)-methyl-GTP_TMS_26	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N)N2[Si](C)(C)C	standard polar	2025-10-24	3499.82
Gas Chromatography	N(7)-methyl-GTP_TMS_27	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)[NH]2	standard polar	2025-10-24	2500.33
Gas Chromatography	N(7)-methyl-GTP_TMS_28	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard polar	2025-10-24	2471.12
Gas Chromatography	N(7)-methyl-GTP_TMS_29	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard polar	2025-10-24	2761.85
Gas Chromatography	N(7)-methyl-GTP_TMS_30	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard polar	2025-10-24	2204.68
Gas Chromatography	N(7)-methyl-GTP_TMS_31	C[N+]1=CN([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C2=C1C([O-])=NC(=N[Si](C)(C)C)N2[Si](C)(C)C	standard polar	2025-10-24	1622.82

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
MMDBr0025518	L-Histidine	diphosphate	Polyprotein P1234		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
Viruses/Orthornavirae	Kitrinoviricota	25
Bacteria/Eubacteria	Proteobacteria	90	Human ; Human feces; Turkey ; Pig
Bacteria	Proteobacteria	3	Human ; Human feces; Turkey ; Pig

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

58145540

KEGG Compound ID

Not Available

BioCyc ID

CPD0-2552

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

24917010

PDB ID

Not Available

ChEBI ID

87133

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(7)-methyl-GTP (MMDBc0056201)

MOL for #<Metabolite:0x00007fc954821c78>

3D MOL for #<Metabolite:0x00007fc954821c78>

3D SDF for #<Metabolite:0x00007fc954821c78>

3D-SDF for #<Metabolite:0x00007fc954821c78>

PDB for #<Metabolite:0x00007fc954821c78>

3D PDB for #<Metabolite:0x00007fc954821c78>

SMILES for #<Metabolite:0x00007fc954821c78>

INCHI for #<Metabolite:0x00007fc954821c78>

Structure for #<Metabolite:0x00007fc954821c78>

3D Structure for #<Metabolite:0x00007fc954821c78>