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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:32 UTC

Update Date

2021-09-14 15:36:53 UTC

HMDB ID

HMDB0028802

Secondary Accession Numbers

HMDB28802

Metabolite Identification

Common Name

Glutaminyllysine

Description

Glutaminyllysine, also known as Q-K dipeptide or GLN-lys, 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. Glutaminyllysine 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 glutaminyllysine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glutaminyllysine.

Structure

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

HMDB0028802
     RDKit          3D
Glutaminyllysine
 41 40  0  0  0  0  0  0  0  0999 V2000
    5.7569    0.8783    0.9635 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7121    1.5338    0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1764    2.4640    1.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660    1.3209   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6253    0.8607   -0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -0.4333    0.2982 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4806   -1.3541   -0.5375 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3320   -0.9610    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648   -2.1556    1.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2963   -0.3442    0.1019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111   -0.9768    0.4066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0863   -0.1281   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4385   -0.6862    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236    0.2042   -0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4746    1.6018    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5210    2.4201   -0.5988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233   -2.3168   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252   -3.1421    0.0188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -2.6887   -1.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2063    0.1622    0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523    3.4367    1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5751    0.4561   -1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1045    2.2058   -1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.6319    0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    0.6208   -1.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2254   -0.2241    1.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -2.2511   -0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -1.4664   -1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813   -2.8898    0.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541   -1.0566    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256    0.8712    0.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9395   -0.0407   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5864   -1.7071   -0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6808   -0.7774    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5209   -0.2083   -0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4146    0.2549   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056    2.0793   -0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5568    1.5932    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2376    1.7613   -0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1667    3.0935   -1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501   -3.6425   -1.0548 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  1  0
 14 15  1  0
 15 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  1
  7 27  1  0
  7 28  1  0
  9 29  1  0
 11 30  1  1
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 16 40  1  0
 19 41  1  0
M  END

  Mrv1652304032018442D          

 21 20  0  0  1  0            999 V2000
    2.0625    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    4.2868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3000    2.8579    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0125    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    5.0013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    5.7158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    3.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8875    2.1434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  1  0  0  0  0
 11  8  1  0  0  0  0
 12  6  1  0  0  0  0
  7 13  1  6  0  0  0
 14  9  2  0  0  0  0
  8 15  1  1  0  0  0
 15 10  2  0  0  0  0
 16  9  1  0  0  0  0
 10 17  1  4  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
  7 20  1  6  0  0  0
  8 21  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0028802

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H22N4O4/c12-6-2-1-3-8(11(18)19)15-10(17)7(13)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1

> <INCHI_KEY>
CLSDNFWKGFJIBZ-YUMQZZPRSA-N

> <FORMULA>
C11H22N4O4

> <MOLECULAR_WEIGHT>
274.321

> <EXACT_MASS>
274.164105204

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
28.757681483276645

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoic acid

> <ALOGPS_LOGP>
-2.66

> <JCHEM_LOGP>
-7.93791641594229

> <ALOGPS_LOGS>
-2.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
3.358412902355307

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.48919024727030447

> <JCHEM_PKA_STRONGEST_BASIC>
12.930606013943395

> <JCHEM_POLAR_SURFACE_AREA>
166.01

> <JCHEM_REFRACTIVITY>
79.17779999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.17e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028802
     RDKit          3D
Glutaminyllysine
 41 40  0  0  0  0  0  0  0  0999 V2000
    5.7569    0.8783    0.9635 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7121    1.5338    0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1764    2.4640    1.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660    1.3209   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6253    0.8607   -0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -0.4333    0.2982 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4806   -1.3541   -0.5375 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3320   -0.9610    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648   -2.1556    1.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2963   -0.3442    0.1019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111   -0.9768    0.4066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0863   -0.1281   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4385   -0.6862    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236    0.2042   -0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4746    1.6018    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5210    2.4201   -0.5988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233   -2.3168   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252   -3.1421    0.0188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -2.6887   -1.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2063    0.1622    0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523    3.4367    1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5751    0.4561   -1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1045    2.2058   -1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.6319    0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    0.6208   -1.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2254   -0.2241    1.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -2.2511   -0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -1.4664   -1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813   -2.8898    0.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541   -1.0566    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256    0.8712    0.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9395   -0.0407   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5864   -1.7071   -0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6808   -0.7774    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5209   -0.2083   -0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4146    0.2549   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056    2.0793   -0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5568    1.5932    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2376    1.7613   -0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1667    3.0935   -1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501   -3.6425   -1.0548 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  1  0
 14 15  1  0
 15 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  1
  7 27  1  0
  7 28  1  0
  9 29  1  0
 11 30  1  1
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 16 40  1  0
 19 41  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       3.850   4.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.310   4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.620   5.335   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.780   8.002   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.550   9.336   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.540   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.240   8.002   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.160   5.335   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      13.090   9.336   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.470   6.668   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0       0.000   2.667   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       8.470   9.336   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      13.860  10.669   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0       6.930   6.668   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      13.860   8.002   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       9.240   5.335   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       8.470   4.001   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       6.160   2.667   0.000  0.00  0.00           O+0
HETATM   20  H   UNK     0      10.010   6.668   0.000  0.00  0.00           H+0
HETATM   21  H   UNK     0       5.390   4.001   0.000  0.00  0.00           H+0
CONECT    1    2    3                                                       
CONECT    2    1    6                                                       
CONECT    3    1    8                                                       
CONECT    4    5    7                                                       
CONECT    5    4    9                                                       
CONECT    6    2   12                                                       
CONECT    7    4   10   13   20                                             
CONECT    8    3   11   15   21                                             
CONECT    9    5   14   16                                                  
CONECT   10    7   15   17                                                  
CONECT   11    8   18   19                                                  
CONECT   12    6                                                            
CONECT   13    7                                                            
CONECT   14    9                                                            
CONECT   15    8   10                                                       
CONECT   16    9                                                            
CONECT   17   10                                                            
CONECT   18   11                                                            
CONECT   19   11                                                            
CONECT   20    7                                                            
CONECT   21    8                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

COMPND    HMDB0028802
HETATM    1  N1  UNL     1       5.757   0.878   0.963  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.712   1.534   0.610  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.176   2.464   1.480  1.00  0.00           O  
HETATM    4  C2  UNL     1       4.066   1.321  -0.703  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.625   0.861  -0.488  1.00  0.00           C  
HETATM    6  C4  UNL     1       2.710  -0.433   0.298  1.00  0.00           C  
HETATM    7  N2  UNL     1       3.481  -1.354  -0.538  1.00  0.00           N  
HETATM    8  C5  UNL     1       1.332  -0.961   0.535  1.00  0.00           C  
HETATM    9  O2  UNL     1       1.265  -2.156   1.252  1.00  0.00           O  
HETATM   10  N3  UNL     1       0.296  -0.344   0.102  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.011  -0.977   0.407  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.086  -0.128  -0.211  1.00  0.00           C  
HETATM   13  C8  UNL     1      -3.438  -0.686   0.056  1.00  0.00           C  
HETATM   14  C9  UNL     1      -4.524   0.204  -0.569  1.00  0.00           C  
HETATM   15  C10 UNL     1      -4.475   1.602   0.003  1.00  0.00           C  
HETATM   16  N4  UNL     1      -5.521   2.420  -0.599  1.00  0.00           N  
HETATM   17  C11 UNL     1      -1.023  -2.317  -0.207  1.00  0.00           C  
HETATM   18  O3  UNL     1      -1.925  -3.142   0.019  1.00  0.00           O  
HETATM   19  O4  UNL     1      -0.007  -2.689  -1.065  1.00  0.00           O  
HETATM   20  H1  UNL     1       6.206   0.162   0.347  1.00  0.00           H  
HETATM   21  H2  UNL     1       4.252   3.437   1.210  1.00  0.00           H  
HETATM   22  H3  UNL     1       4.575   0.456  -1.219  1.00  0.00           H  
HETATM   23  H4  UNL     1       4.105   2.206  -1.350  1.00  0.00           H  
HETATM   24  H5  UNL     1       2.029   1.632   0.031  1.00  0.00           H  
HETATM   25  H6  UNL     1       2.226   0.621  -1.481  1.00  0.00           H  
HETATM   26  H7  UNL     1       3.225  -0.224   1.258  1.00  0.00           H  
HETATM   27  H8  UNL     1       3.621  -2.251  -0.043  1.00  0.00           H  
HETATM   28  H9  UNL     1       2.908  -1.466  -1.418  1.00  0.00           H  
HETATM   29  H10 UNL     1       1.881  -2.890   0.968  1.00  0.00           H  
HETATM   30  H11 UNL     1      -1.154  -1.057   1.488  1.00  0.00           H  
HETATM   31  H12 UNL     1      -2.026   0.871   0.283  1.00  0.00           H  
HETATM   32  H13 UNL     1      -1.940  -0.041  -1.312  1.00  0.00           H  
HETATM   33  H14 UNL     1      -3.586  -1.707  -0.397  1.00  0.00           H  
HETATM   34  H15 UNL     1      -3.681  -0.777   1.118  1.00  0.00           H  
HETATM   35  H16 UNL     1      -5.521  -0.208  -0.358  1.00  0.00           H  
HETATM   36  H17 UNL     1      -4.415   0.255  -1.667  1.00  0.00           H  
HETATM   37  H18 UNL     1      -3.506   2.079  -0.319  1.00  0.00           H  
HETATM   38  H19 UNL     1      -4.557   1.593   1.107  1.00  0.00           H  
HETATM   39  H20 UNL     1      -6.238   1.761  -0.969  1.00  0.00           H  
HETATM   40  H21 UNL     1      -5.167   3.093  -1.289  1.00  0.00           H  
HETATM   41  H22 UNL     1       0.350  -3.643  -1.055  1.00  0.00           H  
CONECT    1    2    2   20
CONECT    2    3    4
CONECT    3   21
CONECT    4    5   22   23
CONECT    5    6   24   25
CONECT    6    7    8   26
CONECT    7   27   28
CONECT    8    9   10   10
CONECT    9   29
CONECT   10   11
CONECT   11   12   17   30
CONECT   12   13   31   32
CONECT   13   14   33   34
CONECT   14   15   35   36
CONECT   15   16   37   38
CONECT   16   39   40
CONECT   17   18   18   19
CONECT   19   41
END

HMDB0028802
     RDKit          3D
Glutaminyllysine
 41 40  0  0  0  0  0  0  0  0999 V2000
    5.7569    0.8783    0.9635 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7121    1.5338    0.6099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1764    2.4640    1.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0660    1.3209   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6253    0.8607   -0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7105   -0.4333    0.2982 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4806   -1.3541   -0.5375 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3320   -0.9610    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2648   -2.1556    1.2524 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2963   -0.3442    0.1019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111   -0.9768    0.4066 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0863   -0.1281   -0.2114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4385   -0.6862    0.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5236    0.2042   -0.5687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4746    1.6018    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5210    2.4201   -0.5988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0233   -2.3168   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9252   -3.1421    0.0188 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0073   -2.6887   -1.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2063    0.1622    0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2523    3.4367    1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5751    0.4561   -1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1045    2.2058   -1.3505 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0292    1.6319    0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2258    0.6208   -1.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2254   -0.2241    1.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212   -2.2511   -0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -1.4664   -1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8813   -2.8898    0.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1541   -1.0566    1.4879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256    0.8712    0.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9395   -0.0407   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5864   -1.7071   -0.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6808   -0.7774    1.1180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5209   -0.2083   -0.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4146    0.2549   -1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056    2.0793   -0.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5568    1.5932    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2376    1.7613   -0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1667    3.0935   -1.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501   -3.6425   -1.0548 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  1  0
 14 15  1  0
 15 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  1
  7 27  1  0
  7 28  1  0
  9 29  1  0
 11 30  1  1
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 16 40  1  0
 19 41  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
GLN-Lys	HMDB
L-Glutaminyl-L-lysine	HMDB
N2-Glutaminyllysine	HMDB
N2-L-Glutaminyl-L-lysine	HMDB
Glutaminyl-lysine	HMDB
Glutamine lysine dipeptide	HMDB
Glutamine-lysine dipeptide	HMDB
Q-K Dipeptide	HMDB
QK Dipeptide	HMDB
L-GLN-L-Lys	HMDB
(2S)-6-Amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoate	HMDB
Glutaminyllysine	HMDB

Chemical Formula

C₁₁H₂₂N₄O₄

Average Molecular Weight

274.321

Monoisotopic Molecular Weight

274.164105204

IUPAC Name

(2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoic acid

Traditional Name

(2S)-6-amino-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}hexanoic acid

CAS Registry Number

45234-03-5

SMILES

[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=O

InChI Identifier

InChI=1S/C11H22N4O4/c12-6-2-1-3-8(11(18)19)15-10(17)7(13)4-5-9(14)16/h7-8H,1-6,12-13H2,(H2,14,16)(H,15,17)(H,18,19)/t7-,8-/m0/s1

InChI Key

CLSDNFWKGFJIBZ-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
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
Medium-chain fatty acid
Amino fatty acid
N-acyl-amine
Fatty amide
Fatty acid
Fatty acyl
Primary carboxylic acid amide
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxamide group
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0028802)

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)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

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)

Equine

Horse (FooDB: FOOD00378)

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	-4.79	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.14 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-7.9	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	-0.49	ChemAxon
pKa (Strongest Basic)	12.93	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.01 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	79.18 m³·mol⁻¹	ChemAxon
Polarizability	28.76 Å³	ChemAxon
Number of Rings	0	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]+	164.143	30932474
DeepCCS	[M-H]-	161.747	30932474
DeepCCS	[M-2H]-	194.885	30932474
DeepCCS	[M+Na]+	170.135	30932474
AllCCS	[M+H]+	159.8	32859911
AllCCS	[M+H-H2O]+	156.9	32859911
AllCCS	[M+NH4]+	162.5	32859911
AllCCS	[M+Na]+	163.3	32859911
AllCCS	[M-H]-	164.3	32859911
AllCCS	[M+Na-2H]-	164.5	32859911
AllCCS	[M+HCOO]-	164.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glutaminyllysine	[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=O	3353.8	Standard polar	33892256
Glutaminyllysine	[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=O	2677.6	Standard non polar	33892256
Glutaminyllysine	[H][C@](N)(CCC(O)=N)C(O)=N[C@@]([H])(CCCCN)C(O)=O	2706.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutaminyllysine,1TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O	2718.8	Semi standard non polar	33892256
Glutaminyllysine,1TMS,isomer #2	C[Si](C)(C)OC(=N[C@@H](CCCCN)C(=O)O)[C@@H](N)CCC(=N)O	2671.5	Semi standard non polar	33892256
Glutaminyllysine,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)[C@@H](N)CCC(=N)O	2630.3	Semi standard non polar	33892256
Glutaminyllysine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)O	2788.0	Semi standard non polar	33892256
Glutaminyllysine,1TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O)C(=O)O	2828.4	Semi standard non polar	33892256
Glutaminyllysine,1TMS,isomer #6	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O	2693.0	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C	2632.0	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O)C(=O)O[Si](C)(C)C	2729.7	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2667.4	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #12	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2592.9	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N[Si](C)(C)C)C(=O)O	2852.8	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #14	C[Si](C)(C)N([C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2853.5	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #15	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN)C(=O)O	2720.6	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #16	C[Si](C)(C)N(CCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O)C(=O)O)[Si](C)(C)C	2930.9	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #17	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O	2788.4	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #2	C[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2622.0	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CCCCN)C(=O)O	2747.2	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O[Si](C)(C)C)C(=O)O	2816.5	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #5	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C	2630.1	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O	2602.1	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O)C(=O)O	2757.3	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C	2705.5	Semi standard non polar	33892256
Glutaminyllysine,2TMS,isomer #9	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C	2631.4	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2606.1	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #10	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C	2643.0	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #11	C[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2891.1	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #12	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2713.4	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O)C(=O)O[Si](C)(C)C	2722.8	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2650.0	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #15	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2582.4	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N[Si](C)(C)C)C(=O)O	2806.8	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #17	C[Si](C)(C)OC(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@@H](N)CCC(=N)O	2877.6	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #18	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2758.2	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #19	C[Si](C)(C)OC(=N[C@@H](CCCCN)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2828.6	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C	2672.9	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #20	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C	2683.6	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #21	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2772.6	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)[C@@H](N)CCC(=N)O	2850.9	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #23	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2727.3	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #24	C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2781.9	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #25	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2653.8	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #26	C[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2947.3	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #27	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O	2823.4	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #28	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2955.5	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #29	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2808.2	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O[Si](C)(C)C)C(=O)O	2752.5	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #30	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2856.4	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #4	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2573.7	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2659.5	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2729.6	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #7	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2544.8	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2829.9	Semi standard non polar	33892256
Glutaminyllysine,3TMS,isomer #9	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2811.5	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2612.4	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2519.2	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #10	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2798.5	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #10	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2634.7	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #11	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2567.3	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #11	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2489.9	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #12	C[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2849.1	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #12	C[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2683.0	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #13	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2620.2	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #13	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2576.7	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2922.2	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2713.4	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #15	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2740.0	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #15	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2651.2	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2923.2	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2732.5	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #17	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2784.9	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #17	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2597.0	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #18	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2821.8	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #18	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2660.0	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #19	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2741.9	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #19	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2592.1	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2701.9	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2583.3	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O	2848.0	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #20	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O[Si](C)(C)C)[C@@H](N)CCC(=N)O	2614.4	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #21	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2703.0	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #21	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2534.2	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2796.5	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #22	C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2550.3	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #23	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2600.1	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #23	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2441.9	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2908.4	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #24	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2663.9	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #25	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2791.4	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #25	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2590.3	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #26	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2929.4	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #26	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2676.1	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #27	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2865.8	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #27	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2618.0	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #28	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2839.3	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #28	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2548.9	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2881.0	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #29	C[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2693.7	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #3	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2527.5	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #3	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2403.2	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #30	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2770.8	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #30	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2628.9	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #31	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2884.0	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #31	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2710.2	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #32	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2829.8	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #32	C[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2658.2	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #33	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2793.3	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #33	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2601.3	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #34	C[Si](C)(C)N(CCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3065.0	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #34	C[Si](C)(C)N(CCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2764.2	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #35	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2904.5	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #35	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2692.7	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #36	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2913.9	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #36	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2725.3	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2766.1	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2616.6	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #5	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2821.7	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #5	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2603.0	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #6	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2578.0	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #6	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2436.8	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #7	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2877.8	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #7	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2673.0	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #8	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2658.7	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #8	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2529.2	Standard non polar	33892256
Glutaminyllysine,4TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2747.5	Semi standard non polar	33892256
Glutaminyllysine,4TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2647.5	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2702.8	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2640.7	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #10	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2824.3	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #10	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2602.3	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2856.4	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2733.1	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #12	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2644.0	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #12	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2638.4	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2860.3	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2749.0	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #14	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2748.9	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #14	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2604.6	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #15	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2793.1	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #15	C[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2654.5	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #16	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3065.1	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #16	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2814.1	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #17	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2847.3	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #17	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2691.9	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #18	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2856.7	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #18	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2719.5	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2842.1	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #19	C[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2696.8	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #2	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2777.6	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #2	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2626.8	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #20	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2711.0	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #20	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2583.4	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #21	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2848.8	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #21	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2706.4	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #22	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2834.5	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #22	C[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2621.0	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #23	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2797.6	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #23	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2563.5	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #24	C[Si](C)(C)OC(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	3075.0	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #24	C[Si](C)(C)OC(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2779.9	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #25	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2877.0	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #25	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2642.8	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #26	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2917.1	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #26	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2667.1	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	3029.2	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #27	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C)[Si](C)(C)C	2821.6	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #28	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2861.1	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #28	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2690.9	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #29	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2872.8	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #29	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2721.0	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #3	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2529.5	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #3	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2463.6	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #30	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3043.2	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #30	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2787.7	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #4	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2847.4	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #4	C[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2682.9	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #5	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2603.8	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #5	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2527.5	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2874.3	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2698.3	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #7	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2671.3	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #7	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2588.9	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2885.5	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2710.2	Standard non polar	33892256
Glutaminyllysine,5TMS,isomer #9	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2780.3	Semi standard non polar	33892256
Glutaminyllysine,5TMS,isomer #9	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2547.1	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2833.8	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2732.0	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #10	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2799.7	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #10	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2696.2	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #11	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN[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	2800.0	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #11	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN[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	2726.7	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #12	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3040.9	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #12	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2781.4	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[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	3048.3	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[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	2821.8	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #14	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2860.0	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #14	C[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2649.7	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #15	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN[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	2883.2	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #15	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN[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	2674.4	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #16	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3072.2	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #16	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2734.5	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #17	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3043.0	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #17	C[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2790.1	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #2	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2626.5	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #2	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2599.4	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2840.2	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2740.6	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #4	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN)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	2738.7	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #4	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN)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	2581.3	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #5	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2807.4	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #5	C[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2618.4	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #6	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3090.7	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #6	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2803.6	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #7	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2815.5	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #7	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	2643.4	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #8	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN[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	2815.3	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #8	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN[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	2673.4	Standard non polar	33892256
Glutaminyllysine,6TMS,isomer #9	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3068.3	Semi standard non polar	33892256
Glutaminyllysine,6TMS,isomer #9	C[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2849.8	Standard non polar	33892256
Glutaminyllysine,7TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[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	3103.7	Semi standard non polar	33892256
Glutaminyllysine,7TMS,isomer #1	C[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[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	2843.6	Standard non polar	33892256
Glutaminyllysine,7TMS,isomer #2	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2817.5	Semi standard non polar	33892256
Glutaminyllysine,7TMS,isomer #2	C[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2676.1	Standard non polar	33892256
Glutaminyllysine,7TMS,isomer #3	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN[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	2807.6	Semi standard non polar	33892256
Glutaminyllysine,7TMS,isomer #3	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN[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	2698.9	Standard non polar	33892256
Glutaminyllysine,7TMS,isomer #4	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[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	3066.4	Semi standard non polar	33892256
Glutaminyllysine,7TMS,isomer #4	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[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	2739.5	Standard non polar	33892256
Glutaminyllysine,7TMS,isomer #5	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[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	3049.2	Semi standard non polar	33892256
Glutaminyllysine,7TMS,isomer #5	C[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C)[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	2795.6	Standard non polar	33892256
Glutaminyllysine,7TMS,isomer #6	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[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	3096.3	Semi standard non polar	33892256
Glutaminyllysine,7TMS,isomer #6	C[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[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	2747.2	Standard non polar	33892256
Glutaminyllysine,8TMS,isomer #1	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[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	3096.8	Semi standard non polar	33892256
Glutaminyllysine,8TMS,isomer #1	C[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN([Si](C)(C)C)[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	2785.8	Standard non polar	33892256
Glutaminyllysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O	2934.5	Semi standard non polar	33892256
Glutaminyllysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CCCCN)C(=O)O)[C@@H](N)CCC(=N)O	2869.8	Semi standard non polar	33892256
Glutaminyllysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)[C@@H](N)CCC(=N)O	2879.4	Semi standard non polar	33892256
Glutaminyllysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)O	2989.2	Semi standard non polar	33892256
Glutaminyllysine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O)C(=O)O	3058.3	Semi standard non polar	33892256
Glutaminyllysine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O	2887.0	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C	3044.2	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O)C(=O)O[Si](C)(C)C(C)(C)C	3179.2	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3127.8	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3041.0	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N[Si](C)(C)C(C)(C)C)C(=O)O	3310.1	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3251.5	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #15	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](CCCCN)C(=O)O	3133.3	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O)C(=O)O)[Si](C)(C)C(C)(C)C	3328.9	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O	3198.7	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3098.0	Semi standard non polar	33892256
Glutaminyllysine,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](CCCCN)C(=O)O	3181.4	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O	3261.1	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C	3086.7	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O	3050.9	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O)C(=O)O	3160.1	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C	3098.4	Semi standard non polar	33892256
Glutaminyllysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C	3012.1	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3270.8	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,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](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C	3329.2	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3538.0	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3400.3	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O)C(=O)O[Si](C)(C)C(C)(C)C	3340.0	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3262.8	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3214.2	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O)N[Si](C)(C)C(C)(C)C)C(=O)O	3398.9	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](N)CCC(=N)O	3456.7	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3327.3	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CCCCN)C(=O)O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3410.0	Semi standard non polar	33892256
Glutaminyllysine,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](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C	3285.7	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C	3246.0	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3444.0	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)[C@@H](N)CCC(=N)O	3478.2	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3366.0	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3428.4	Semi standard non polar	33892256
Glutaminyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3303.5	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3587.4	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #27	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](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O	3461.8	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3590.1	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3430.3	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O	3365.9	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3479.8	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3233.0	Semi standard non polar	33892256
Glutaminyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3338.3	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@@H](N)CCC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3399.8	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3262.5	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3516.9	Semi standard non polar	33892256
Glutaminyllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3472.0	Semi standard non polar	33892256
Glutaminyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3441.4	Semi standard non polar	33892256
Glutaminyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3133.2	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN)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	3655.8	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN)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	3282.9	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3459.9	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3107.4	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3693.3	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3329.9	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN[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	3522.8	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN[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	3173.5	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3773.3	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3334.4	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3625.1	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3173.2	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3809.3	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3335.3	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN)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	3662.1	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN)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	3172.1	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3693.0	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3218.6	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3527.6	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3236.7	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3524.9	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3202.8	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O	3646.3	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O[Si](C)(C)C(C)(C)C)[C@@H](N)CCC(=N)O	3259.1	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN[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	3496.7	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN[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	3126.2	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)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	3611.9	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)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	3210.7	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3402.6	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3040.4	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3686.2	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3291.7	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3549.3	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3102.9	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCCC[C@H](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)C(=O)O	3743.1	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCCC[C@H](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)C(=O)O	3307.8	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3635.9	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3173.9	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN)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	3628.9	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN)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	3114.6	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3718.5	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3385.1	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN)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	3389.5	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN)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	3015.2	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #30	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](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3601.9	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #30	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](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3210.6	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3754.2	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3383.7	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3663.7	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3278.0	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN)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	3630.6	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN)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	3222.2	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3863.6	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N=C(O)[C@H](CCC(=N)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3439.9	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #35	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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3721.0	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #35	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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3258.1	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN[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	3752.6	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN[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	3268.0	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3573.1	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3204.0	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN)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	3666.8	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN)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	3199.7	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3407.3	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2996.3	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3685.3	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3254.0	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN[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	3502.2	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN[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	3073.6	Standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3612.1	Semi standard non polar	33892256
Glutaminyllysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3289.4	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3686.3	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3364.1	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3860.5	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3252.5	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3907.7	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3496.7	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN[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	3708.3	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN[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	3315.7	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3947.7	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3499.7	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN)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	3827.2	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN)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	3315.4	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3870.2	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3352.6	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	4077.9	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3544.7	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3919.3	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3343.7	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN[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	3969.8	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(O)=N[C@@H](CCCCN[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	3362.4	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3838.2	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=N)O)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3459.0	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN)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	3842.5	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=N)CC[C@@H](C(=N[C@@H](CCCCN)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	3366.5	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN[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	3676.1	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN[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	3250.6	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NCCCC[C@H](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)C(=O)O[Si](C)(C)C(C)(C)C	3905.4	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NCCCC[C@H](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)C(=O)O[Si](C)(C)C(C)(C)C	3475.0	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3832.7	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3319.5	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN)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	3817.8	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN)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	3266.1	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	4042.8	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3524.9	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3857.4	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3286.8	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN[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	3940.9	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(=N[C@@H](CCCCN[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	3309.8	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[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	4050.9	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3614.7	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #28	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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3884.0	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #28	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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3402.3	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN[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	3934.5	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN[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	3420.5	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN)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	3527.6	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N[Si](C)(C)C(C)(C)C)C(=N[C@@H](CCCCN)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	3153.7	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	4029.9	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(O)CC[C@@H](C(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3457.2	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3851.7	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=N)CC[C@H](N)C(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[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	3408.1	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN[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	3629.6	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(CC[C@H](N)C(=N[C@@H](CCCCN[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	3215.3	Standard non polar	33892256
Glutaminyllysine,5TBDMS,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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3884.5	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3399.6	Standard non polar	33892256
Glutaminyllysine,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](CCCCN[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	3679.5	Semi standard non polar	33892256
Glutaminyllysine,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](CCCCN[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	3201.9	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3961.4	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O[Si](C)(C)C(C)(C)C)[C@H](CCC(=N)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3414.5	Standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN)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	3852.4	Semi standard non polar	33892256
Glutaminyllysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(CC[C@@H](C(=N[C@@H](CCCCN)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	3210.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutaminyllysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutaminyllysine 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 - Glutaminyllysine 10V, Positive-QTOF	splash10-0a6r-0390000000-a8f88429515e18e3528b	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 20V, Positive-QTOF	splash10-0f6t-8960000000-acef0032b2ce18dfccce	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 40V, Positive-QTOF	splash10-0pi1-9300000000-03b085ededd05ae23f48	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 10V, Negative-QTOF	splash10-00di-0190000000-d14d03ad169160d9d188	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 20V, Negative-QTOF	splash10-0707-3790000000-d0949bd3c92a22bb6b42	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 40V, Negative-QTOF	splash10-0006-9500000000-a8ae63df9e5979faf1fe	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 10V, Positive-QTOF	splash10-004i-0190000000-2a605a9c3579f1e7a516	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 20V, Positive-QTOF	splash10-0zj0-9670000000-5b7dd49bf4b840d53fa3	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 40V, Positive-QTOF	splash10-0k9i-9300000000-812b576ffeadc15e9b61	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 10V, Negative-QTOF	splash10-00di-0190000000-b1fe966515f145fcc128	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 20V, Negative-QTOF	splash10-0006-1920000000-b472bc3cea6f1dad0b59	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminyllysine 40V, Negative-QTOF	splash10-0006-9300000000-5c7e183fc8a14cc7df4c	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)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	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

FDB098198

KNApSAcK ID

Not Available

Chemspider ID

57537705

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71363012

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

Alves J, Ruter T, Geiger R, Fliess A, Maass G, Pingoud A: Changing the hydrogen-bonding potential in the DNA binding site of EcoRI by site-directed mutagenesis drastically reduces the enzymatic activity, not, however, the preference of this restriction endonuclease for cleavage within the site-GAATTC-. Biochemistry. 1989 Mar 21;28(6):2678-84. [PubMed:2659077 ]
Geiger R, Ruter T, Alves J, Fliess A, Wolfes H, Pingoud V, Urbanke C, Maass G, Pingoud A, Dusterhoft A, et al.: Genetic engineering of EcoRI mutants with altered amino acid residues in the DNA binding site: physicochemical investigations give evidence for an altered monomer/dimer equilibrium for the Gln144Lys145 and Gln144Lys145Lys200 mutants. Biochemistry. 1989 Mar 21;28(6):2667-77. [PubMed:2499352 ]

Showing metabocard for Glutaminyllysine (HMDB0028802)

MOL for HMDB0028802 (Glutaminyllysine)

3D MOL for HMDB0028802 (Glutaminyllysine)

3D SDF for HMDB0028802 (Glutaminyllysine)

3D-SDF for HMDB0028802 (Glutaminyllysine)

PDB for HMDB0028802 (Glutaminyllysine)

3D PDB for HMDB0028802 (Glutaminyllysine)

SMILES for HMDB0028802 (Glutaminyllysine)

INCHI for HMDB0028802 (Glutaminyllysine)

Structure for HMDB0028802 (Glutaminyllysine)

3D Structure for HMDB0028802 (Glutaminyllysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra