Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:31 UTC

Update Date

2021-09-14 15:36:53 UTC

HMDB ID

HMDB0028799

Secondary Accession Numbers

HMDB28799

Metabolite Identification

Common Name

Glutaminylhistidine

Description

Glutaminylhistidine, also known as Q-H dipeptide or GLN-his, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Glutaminylhistidine has been detected, but not quantified in, several different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), domestic pigs (Sus scrofa domestica), and milk (cow). This could make glutaminylhistidine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glutaminylhistidine.

Structure

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

HMDB0028799
     RDKit          3D
Glutaminylhistidine
 37 37  0  0  0  0  0  0  0  0999 V2000
    5.1627    0.2480    1.0876 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0211    0.5552    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867    0.7851   -0.8411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    0.6244    1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8789   -0.5174    1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028   -0.7844   -0.1080 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3816   -1.0862   -1.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4478    0.3179   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287    1.5480   -0.8673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126    0.2123   -0.8447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -0.9574   -0.6560 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0728   -0.6113   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4056    0.3517    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    0.9152    1.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3919    1.7289    2.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6494    1.6749    1.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6721    0.8290    0.5664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3829   -1.9820   -1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097   -3.0615   -1.6675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879   -1.7688   -2.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2112    0.0580    2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7649    0.3251   -1.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2711    1.5695    1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0922    0.7894    2.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137   -1.4629    1.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0512   -0.4384    2.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174   -1.6713   -0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0996   -1.2254   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485   -1.7520   -0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2995    1.7921   -1.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3743   -1.3844    0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2907   -0.1096   -1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6563   -1.5515   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411    0.7377    1.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4914    2.2356    2.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5232    0.5816   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248   -2.5353   -3.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 11 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  0
  7 29  1  0
  9 30  1  0
 11 31  1  1
 12 32  1  0
 12 33  1  0
 14 34  1  0
 16 35  1  0
 17 36  1  0
 20 37  1  0
M  END


  Mrv1652304032018442D          

 22 22  0  0  1  0            999 V2000
    0.8628   -4.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2358   -3.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4553   -4.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1496   -4.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5772   -5.2327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7206   -4.8202    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5662   -4.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -4.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7206   -3.9952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5772   -6.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2807   -5.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0428   -3.8282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9033   -5.1558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062   -5.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5662   -3.9952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2917   -3.9952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062   -3.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351   -3.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5772   -4.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4351   -4.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
  7 12  1  6  0  0  0
 13  9  2  0  0  0  0
 14  4  1  0  0  0  0
 14  5  2  0  0  0  0
 15  5  1  0  0  0  0
 15  6  1  0  0  0  0
  8 16  1  1  0  0  0
 16 10  2  0  0  0  0
 17  9  1  0  0  0  0
 10 18  1  4  0  0  0
 19 11  2  0  0  0  0
 20 11  1  0  0  0  0
  7 21  1  6  0  0  0
  8 22  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0028799

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CN=CN1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H17N5O4/c12-7(1-2-9(13)17)10(18)16-8(11(19)20)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)/t7-,8-/m0/s1

> <INCHI_KEY>
JZOYFBPIEHCDFV-YUMQZZPRSA-N

> <FORMULA>
C11H17N5O4

> <MOLECULAR_WEIGHT>
283.288

> <EXACT_MASS>
283.128054047

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
27.537538223391937

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-(1H-imidazol-5-yl)propanoic acid

> <ALOGPS_LOGP>
-2.89

> <JCHEM_LOGP>
-8.014724001540333

> <ALOGPS_LOGS>
-3.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
3.060240110253314

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.659750675747234

> <JCHEM_PKA_STRONGEST_BASIC>
12.471748203050934

> <JCHEM_POLAR_SURFACE_AREA>
168.67

> <JCHEM_REFRACTIVITY>
79.4273

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.84e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-(3H-imidazol-4-yl)propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028799
     RDKit          3D
Glutaminylhistidine
 37 37  0  0  0  0  0  0  0  0999 V2000
    5.1627    0.2480    1.0876 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0211    0.5552    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867    0.7851   -0.8411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    0.6244    1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8789   -0.5174    1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028   -0.7844   -0.1080 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3816   -1.0862   -1.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4478    0.3179   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287    1.5480   -0.8673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126    0.2123   -0.8447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -0.9574   -0.6560 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0728   -0.6113   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4056    0.3517    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    0.9152    1.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3919    1.7289    2.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6494    1.6749    1.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6721    0.8290    0.5664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3829   -1.9820   -1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097   -3.0615   -1.6675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879   -1.7688   -2.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2112    0.0580    2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7649    0.3251   -1.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2711    1.5695    1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0922    0.7894    2.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137   -1.4629    1.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0512   -0.4384    2.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174   -1.6713   -0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0996   -1.2254   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485   -1.7520   -0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2995    1.7921   -1.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3743   -1.3844    0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2907   -0.1096   -1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6563   -1.5515   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411    0.7377    1.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4914    2.2356    2.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5232    0.5816   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248   -2.5353   -3.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 11 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  0
  7 29  1  0
  9 30  1  0
 11 31  1  1
 12 32  1  0
 12 33  1  0
 14 34  1  0
 16 35  1  0
 17 36  1  0
 20 37  1  0
M  END

HEADER    PROTEIN                                 03-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-APR-20         0                                  
HETATM    1  C   UNK     0       1.611  -8.998   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.277  -9.768   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.279  -9.768   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.773  -7.466   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.050  -8.480   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.613  -8.998   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.944  -9.768   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.945  -8.998   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.057  -8.998   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.278  -8.998   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.945  -7.458   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       2.944 -11.308   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      -2.391  -9.768   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      11.280  -7.146   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      11.019  -9.624   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       5.612  -9.768   0.000  0.00  0.00           N+0
HETATM   17  O   UNK     0      -1.057  -7.458   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       4.278  -7.458   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       5.612  -6.688   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       8.279  -6.688   0.000  0.00  0.00           O+0
HETATM   21  H   UNK     0       2.944  -8.228   0.000  0.00  0.00           H+0
HETATM   22  H   UNK     0       8.279  -8.228   0.000  0.00  0.00           H+0
CONECT    1    2    7                                                       
CONECT    2    1    9                                                       
CONECT    3    6    8                                                       
CONECT    4    6   14                                                       
CONECT    5   14   15                                                       
CONECT    6    3    4   15                                                  
CONECT    7    1   10   12   21                                             
CONECT    8    3   11   16   22                                             
CONECT    9    2   13   17                                                  
CONECT   10    7   16   18                                                  
CONECT   11    8   19   20                                                  
CONECT   12    7                                                            
CONECT   13    9                                                            
CONECT   14    4    5                                                       
CONECT   15    5    6                                                       
CONECT   16    8   10                                                       
CONECT   17    9                                                            
CONECT   18   10                                                            
CONECT   19   11                                                            
CONECT   20   11                                                            
CONECT   21    7                                                            
CONECT   22    8                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

COMPND    HMDB0028799
HETATM    1  N1  UNL     1       5.163   0.248   1.088  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.021   0.555   0.517  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.087   0.785  -0.841  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.814   0.624   1.352  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.879  -0.517   1.248  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.303  -0.784  -0.108  1.00  0.00           C  
HETATM    7  N2  UNL     1       2.382  -1.086  -1.021  1.00  0.00           N  
HETATM    8  C5  UNL     1       0.448   0.318  -0.617  1.00  0.00           C  
HETATM    9  O2  UNL     1       1.029   1.548  -0.867  1.00  0.00           O  
HETATM   10  N3  UNL     1      -0.813   0.212  -0.845  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.607  -0.957  -0.656  1.00  0.00           C  
HETATM   12  C7  UNL     1      -3.073  -0.611  -0.687  1.00  0.00           C  
HETATM   13  C8  UNL     1      -3.406   0.352   0.384  1.00  0.00           C  
HETATM   14  C9  UNL     1      -2.600   0.915   1.326  1.00  0.00           C  
HETATM   15  N4  UNL     1      -3.392   1.729   2.069  1.00  0.00           N  
HETATM   16  C10 UNL     1      -4.649   1.675   1.606  1.00  0.00           C  
HETATM   17  N5  UNL     1      -4.672   0.829   0.566  1.00  0.00           N  
HETATM   18  C11 UNL     1      -1.383  -1.982  -1.708  1.00  0.00           C  
HETATM   19  O3  UNL     1      -2.010  -3.062  -1.667  1.00  0.00           O  
HETATM   20  O4  UNL     1      -0.488  -1.769  -2.743  1.00  0.00           O  
HETATM   21  H1  UNL     1       5.211   0.058   2.106  1.00  0.00           H  
HETATM   22  H2  UNL     1       4.765   0.325  -1.431  1.00  0.00           H  
HETATM   23  H3  UNL     1       2.271   1.570   1.061  1.00  0.00           H  
HETATM   24  H4  UNL     1       3.092   0.789   2.441  1.00  0.00           H  
HETATM   25  H5  UNL     1       2.414  -1.463   1.571  1.00  0.00           H  
HETATM   26  H6  UNL     1       1.051  -0.438   2.004  1.00  0.00           H  
HETATM   27  H7  UNL     1       0.617  -1.671  -0.038  1.00  0.00           H  
HETATM   28  H8  UNL     1       2.100  -1.225  -1.995  1.00  0.00           H  
HETATM   29  H9  UNL     1       3.048  -1.752  -0.625  1.00  0.00           H  
HETATM   30  H10 UNL     1       1.299   1.792  -1.810  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.374  -1.384   0.355  1.00  0.00           H  
HETATM   32  H12 UNL     1      -3.291  -0.110  -1.652  1.00  0.00           H  
HETATM   33  H13 UNL     1      -3.656  -1.551  -0.629  1.00  0.00           H  
HETATM   34  H14 UNL     1      -1.541   0.738   1.444  1.00  0.00           H  
HETATM   35  H15 UNL     1      -5.491   2.236   2.024  1.00  0.00           H  
HETATM   36  H16 UNL     1      -5.523   0.582  -0.004  1.00  0.00           H  
HETATM   37  H17 UNL     1      -0.025  -2.535  -3.217  1.00  0.00           H  
CONECT    1    2    2   21
CONECT    2    3    4
CONECT    3   22
CONECT    4    5   23   24
CONECT    5    6   25   26
CONECT    6    7    8   27
CONECT    7   28   29
CONECT    8    9   10   10
CONECT    9   30
CONECT   10   11
CONECT   11   12   18   31
CONECT   12   13   32   33
CONECT   13   14   14   17
CONECT   14   15   34
CONECT   15   16   16
CONECT   16   17   35
CONECT   17   36
CONECT   18   19   19   20
CONECT   20   37
END

HMDB0028799
     RDKit          3D
Glutaminylhistidine
 37 37  0  0  0  0  0  0  0  0999 V2000
    5.1627    0.2480    1.0876 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0211    0.5552    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867    0.7851   -0.8411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8138    0.6244    1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8789   -0.5174    1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028   -0.7844   -0.1080 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3816   -1.0862   -1.0214 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4478    0.3179   -0.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0287    1.5480   -0.8673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8126    0.2123   -0.8447 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -0.9574   -0.6560 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0728   -0.6113   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4056    0.3517    0.3839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    0.9152    1.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3919    1.7289    2.0687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6494    1.6749    1.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6721    0.8290    0.5664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3829   -1.9820   -1.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097   -3.0615   -1.6675 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4879   -1.7688   -2.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2112    0.0580    2.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7649    0.3251   -1.4305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2711    1.5695    1.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0922    0.7894    2.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4137   -1.4629    1.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0512   -0.4384    2.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6174   -1.6713   -0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0996   -1.2254   -1.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0485   -1.7520   -0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2995    1.7921   -1.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3743   -1.3844    0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2907   -0.1096   -1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6563   -1.5515   -0.6290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5411    0.7377    1.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4914    2.2356    2.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5232    0.5816   -0.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248   -2.5353   -3.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 11 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  3 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  0
  7 29  1  0
  9 30  1  0
 11 31  1  1
 12 32  1  0
 12 33  1  0
 14 34  1  0
 16 35  1  0
 17 36  1  0
 20 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
GLN-His	HMDB
L-Glutaminyl-L-histidine	HMDB
N-Glutaminylhistidine	HMDB
N-L-Glutaminyl-L-histidine	HMDB
Glutaminyl-histidine	HMDB
Glutamine histidine dipeptide	HMDB
Glutamine-histidine dipeptide	HMDB
Q-H Dipeptide	HMDB
QH Dipeptide	HMDB
L-GLN-L-His	HMDB
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-(1H-imidazol-5-yl)propanoate	HMDB
Glutaminylhistidine	HMDB

Chemical Formula

C₁₁H₁₇N₅O₄

Average Molecular Weight

283.288

Monoisotopic Molecular Weight

283.128054047

IUPAC Name

(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-(1H-imidazol-5-yl)propanoic acid

Traditional Name

(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-3-(3H-imidazol-4-yl)propanoic acid

CAS Registry Number

104018-08-8

SMILES

[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CN=CN1)C(O)=O

InChI Identifier

InChI=1S/C11H17N5O4/c12-7(1-2-9(13)17)10(18)16-8(11(19)20)3-6-4-14-5-15-6/h4-5,7-8H,1-3,12H2,(H2,13,17)(H,14,15)(H,16,18)(H,19,20)/t7-,8-/m0/s1

InChI Key

JZOYFBPIEHCDFV-YUMQZZPRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Histidine or derivatives
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
Imidazolyl carboxylic acid derivative
N-acyl-amine
Fatty amide
Fatty acyl
Azole
Heteroaromatic compound
Imidazole
Amino acid or derivatives
Amino acid
Primary carboxylic acid amide
Secondary carboxylic acid amide
Carboxamide group
Azacycle
Carboxylic acid
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Primary amine
Amine
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Primary aliphatic amine
Organic oxide
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-5.08	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	6.37 g/L	ALOGPS
logP	-2.9	ALOGPS
logP	-8	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	-0.66	ChemAxon
pKa (Strongest Basic)	12.47	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	168.67 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	79.43 m³·mol⁻¹	ChemAxon
Polarizability	27.54 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	163.661	30932474
DeepCCS	[M-H]-	161.303	30932474
DeepCCS	[M-2H]-	194.955	30932474
DeepCCS	[M+Na]+	170.184	30932474
AllCCS	[M+H]+	162.4	32859911
AllCCS	[M+H-H2O]+	159.3	32859911
AllCCS	[M+NH4]+	165.2	32859911
AllCCS	[M+Na]+	166.1	32859911
AllCCS	[M-H]-	164.1	32859911
AllCCS	[M+Na-2H]-	164.1	32859911
AllCCS	[M+HCOO]-	164.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glutaminylhistidine	[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CN=CN1)C(O)=O	3478.5	Standard polar	33892256
Glutaminylhistidine	[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CN=CN1)C(O)=O	2612.4	Standard non polar	33892256
Glutaminylhistidine	[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CC1=CN=CN1)C(O)=O	3263.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutaminylhistidine,1TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	2923.4	Semi standard non polar	33892256
Glutaminylhistidine,1TMS,isomer #2	C[Si](C)(C)OC(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)[C@@H](N)CCC(=N)O	2900.3	Semi standard non polar	33892256
Glutaminylhistidine,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O)[C@@H](N)CCC(=N)O	2879.8	Semi standard non polar	33892256
Glutaminylhistidine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	2991.0	Semi standard non polar	33892256
Glutaminylhistidine,1TMS,isomer #5	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	2859.1	Semi standard non polar	33892256
Glutaminylhistidine,1TMS,isomer #6	C[Si](C)(C)N1C=NC=C1C[C@H](N=C(O)[C@@H](N)CCC(=N)O)C(=O)O	3035.2	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C	2849.9	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2926.3	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N=C(O)[C@@H](N)CCC(=N)O	2957.5	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #12	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2833.5	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #13	C[Si](C)(C)N([C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C	3075.5	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #14	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	2919.0	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #15	C[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	3055.8	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #16	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2970.2	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #2	C[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2876.9	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	2961.1	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #4	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C	2795.3	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #5	C[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	2990.6	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O	2857.0	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C	2928.4	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #8	C[Si](C)(C)OC(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[C@@H](N)CCC(=N)O	2949.1	Semi standard non polar	33892256
Glutaminylhistidine,2TMS,isomer #9	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C	2831.9	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2812.7	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	3023.5	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #11	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2910.5	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2875.8	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O	2931.3	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #14	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2805.4	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #15	C[Si](C)(C)OC(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2961.5	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #16	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C	2874.3	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2983.9	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #18	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2943.5	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2980.2	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C	2872.9	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #20	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2881.2	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3000.1	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #22	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2951.1	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #23	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2993.2	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #24	C[Si](C)(C)N([C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3157.6	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #25	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O	3007.5	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #3	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2745.0	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #4	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2941.2	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C	2900.3	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #6	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2753.1	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #7	C[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2951.1	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #8	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2989.4	Semi standard non polar	33892256
Glutaminylhistidine,3TMS,isomer #9	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C	2842.4	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2822.1	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2521.2	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2972.9	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2652.1	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #11	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2864.5	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #11	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2636.7	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #12	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2908.0	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #12	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2744.7	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #13	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3104.7	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #13	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2793.7	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #14	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2947.2	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #14	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2690.9	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2924.8	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2641.4	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #16	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2823.6	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #16	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2580.9	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2939.9	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2624.4	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #18	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2920.5	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #18	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2617.8	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #19	C[Si](C)(C)OC(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	3075.1	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #19	C[Si](C)(C)OC(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2745.8	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #2	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2701.9	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #2	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2494.6	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #20	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2939.2	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #20	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2709.0	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #21	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2975.8	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #21	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2667.5	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	3082.7	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2781.2	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #23	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2969.1	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #23	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2747.7	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #24	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2993.7	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #24	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2704.2	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #25	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3115.7	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #25	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2854.4	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #3	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2907.0	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #3	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2589.4	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #4	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2935.6	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #4	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2642.7	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #5	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2761.2	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #5	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2583.5	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2952.9	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2627.5	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #7	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2876.8	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #7	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2587.9	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #8	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2950.6	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #8	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2678.9	Standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #9	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2775.0	Semi standard non polar	33892256
Glutaminylhistidine,4TMS,isomer #9	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2614.5	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2927.4	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2635.6	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #10	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2889.4	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #10	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2677.3	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #11	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3063.8	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #11	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2805.7	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	3051.8	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2763.4	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #13	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2935.9	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #13	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2673.8	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #14	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2937.8	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #14	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2653.2	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #15	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3095.9	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #15	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2776.1	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #16	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3103.0	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #16	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2833.0	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #2	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2736.5	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #2	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2556.1	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2922.7	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2631.9	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #4	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2826.0	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #4	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2579.8	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #5	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2859.7	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #5	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2665.2	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #6	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3076.8	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #6	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2745.1	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #7	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2884.0	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #7	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2634.6	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #8	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2878.5	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #8	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2710.7	Standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #9	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3083.9	Semi standard non polar	33892256
Glutaminylhistidine,5TMS,isomer #9	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2791.8	Standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #1	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2889.9	Semi standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #1	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2651.4	Standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #2	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3073.2	Semi standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #2	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2766.7	Standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #3	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2876.0	Semi standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #3	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2641.8	Standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #4	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3038.3	Semi standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #4	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2744.4	Standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #5	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3047.7	Semi standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #5	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2800.1	Standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #6	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3101.3	Semi standard non polar	33892256
Glutaminylhistidine,6TMS,isomer #6	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2767.2	Standard non polar	33892256
Glutaminylhistidine,7TMS,isomer #1	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3054.7	Semi standard non polar	33892256
Glutaminylhistidine,7TMS,isomer #1	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2763.3	Standard non polar	33892256
Glutaminylhistidine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	3126.9	Semi standard non polar	33892256
Glutaminylhistidine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)[C@@H](N)CCC(=N)O	3102.5	Semi standard non polar	33892256
Glutaminylhistidine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O)[C@@H](N)CCC(=N)O	3084.7	Semi standard non polar	33892256
Glutaminylhistidine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	3152.0	Semi standard non polar	33892256
Glutaminylhistidine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	3064.7	Semi standard non polar	33892256
Glutaminylhistidine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1C=NC=C1C[C@H](N=C(O)[C@@H](N)CCC(=N)O)C(=O)O	3243.2	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C	3285.3	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3317.7	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N=C(O)[C@@H](N)CCC(=N)O	3396.3	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3249.0	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3407.3	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	3304.3	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3471.4	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3398.9	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3293.7	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O	3355.2	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C	3256.8	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3421.0	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O	3281.6	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C	3292.2	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](N)CCC(=N)O	3361.6	Semi standard non polar	33892256
Glutaminylhistidine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C	3220.0	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3476.0	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3656.2	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3573.6	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3472.2	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O	3555.9	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3406.3	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3545.7	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C	3411.3	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3570.8	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3525.3	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3587.9	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C	3466.0	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3478.3	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3637.0	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3574.8	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3570.8	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=N)O)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3750.3	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O	3630.3	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3402.7	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3572.6	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3516.0	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3420.9	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3592.8	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3627.1	Semi standard non polar	33892256
Glutaminylhistidine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C	3474.8	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3624.6	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3138.8	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3786.5	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3331.1	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3731.5	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3242.6	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3775.5	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3264.2	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3954.5	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3424.0	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3771.2	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3258.4	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3741.8	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C[NH]1)N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3281.6	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3553.1	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3121.3	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3741.1	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3299.3	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3705.2	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3214.4	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3885.4	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3395.0	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3563.3	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3054.5	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3724.0	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3222.1	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3706.0	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3212.4	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3914.2	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3488.1	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3762.5	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3325.5	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3772.9	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3329.7	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3907.1	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3435.0	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3762.4	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3243.3	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3766.2	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3226.3	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3551.8	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3080.4	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3763.5	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3239.7	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3713.8	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3140.5	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3791.5	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3311.7	Standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3590.8	Semi standard non polar	33892256
Glutaminylhistidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3175.2	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3936.8	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3355.5	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3888.6	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3391.4	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4104.2	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3472.2	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4051.0	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3550.4	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3908.1	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3323.6	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3853.1	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3347.5	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4067.9	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3435.9	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4089.3	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3566.5	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3679.8	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3190.6	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3906.4	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3394.6	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3852.8	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3280.3	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3906.2	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CC1=CN=C[NH]1)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3264.3	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4091.2	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3475.4	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3870.0	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3281.1	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3929.5	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CC1=CN=C[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3369.6	Standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4109.7	Semi standard non polar	33892256
Glutaminylhistidine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CC1=CN=CN1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3575.8	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutaminylhistidine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylhistidine 10V, Positive-QTOF	splash10-0159-0290000000-0277566ecd2416b20aea	2018-11-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylhistidine 20V, Positive-QTOF	splash10-0gx0-7970000000-710b69e09df6a12fd231	2018-11-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylhistidine 40V, Positive-QTOF	splash10-0a4i-9200000000-e8ebc1d5476a869fa4f4	2018-11-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylhistidine 10V, Positive-QTOF	splash10-001i-0090000000-2b9d5ca4df8f843b8362	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylhistidine 20V, Positive-QTOF	splash10-0540-9510000000-ed3317f2a969e022a420	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylhistidine 40V, Positive-QTOF	splash10-0a5i-9000000000-1b1a277ec0dc9c18340b	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylhistidine 10V, Negative-QTOF	splash10-0f89-0970000000-e820a1735aec7864c723	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylhistidine 20V, Negative-QTOF	splash10-0ke9-3910000000-e1575ca2ee5673b72f22	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylhistidine 40V, Negative-QTOF	splash10-066r-9500000000-23de5ae74ea8b6d3b43c	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB098197

KNApSAcK ID

Not Available

Chemspider ID

7990098

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9814348

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Glutaminylhistidine (HMDB0028799)

MOL for HMDB0028799 (Glutaminylhistidine)

3D MOL for HMDB0028799 (Glutaminylhistidine)

3D SDF for HMDB0028799 (Glutaminylhistidine)

3D-SDF for HMDB0028799 (Glutaminylhistidine)

PDB for HMDB0028799 (Glutaminylhistidine)

3D PDB for HMDB0028799 (Glutaminylhistidine)

SMILES for HMDB0028799 (Glutaminylhistidine)

INCHI for HMDB0028799 (Glutaminylhistidine)

Structure for HMDB0028799 (Glutaminylhistidine)

3D Structure for HMDB0028799 (Glutaminylhistidine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra