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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:51 UTC

Update Date

2021-09-14 15:37:01 UTC

HMDB ID

HMDB0028883

Secondary Accession Numbers

HMDB28883

Metabolite Identification

Common Name

Histidylglutamine

Description

Histidylglutamine is a dipeptide composed of histidine and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

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

HMDB0028883
     RDKit          3D
Histidylglutamine
 37 37  0  0  0  0  0  0  0  0999 V2000
   -5.6573    1.2437   -0.7980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2788    0.9332   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4577    1.6996   -0.3351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8206   -0.2566   -1.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3647   -0.4612   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9107   -0.7169   -0.0593 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4645   -0.8951   -0.0426 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3545   -0.0573    0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2074    0.8358    1.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358   -0.1974    0.8025 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3039   -1.2659   -0.0364 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    1.1408    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9003    1.0440    0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6961    1.3177    1.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9584    1.1076    1.1471 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    0.7178   -0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7135    0.6831   -0.5503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886   -1.8985    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706   -2.8419    0.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9490   -2.0200    0.6831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0121    1.7690    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2973    0.9373   -1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580   -0.0523   -2.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4308   -1.1485   -1.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0709   -1.3448   -2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    0.3761   -1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370    0.1267    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411   -1.6484   -0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1994   -0.4041    1.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120   -1.3906    0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010   -1.1700   -1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    1.9628    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156    1.3841   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548    1.6394    2.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860    1.2332    1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8310    0.4664   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4864   -2.8485    0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
  6 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  1 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  0
 10 29  1  1
 11 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 16 36  1  0
 20 37  1  0
M  END


  Mrv1652304062013472D          

 20 20  0  0  0  0            999 V2000
 9998.182510000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8969 9999.6070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.611410000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3263 9999.6070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10001.040310000.0195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.7543 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.468410000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.1845 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.898510000.0195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10003.1845 9998.7821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.040310000.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.754310001.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.326310001.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.611410000.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8969 9998.7821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.795810000.1013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1284 9999.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.3833 9998.8317    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.2083 9998.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4632 9999.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  1  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 19 20  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 20  1  0  0  0  0
  1 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028883

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(N)=O)C(O)=O

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

> <INCHI_KEY>
CTCFZNBRZBNKAX-YUMQZZPRSA-N

> <FORMULA>
C11H17N5O4

> <MOLECULAR_WEIGHT>
283.288

> <EXACT_MASS>
283.128054047

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
27.693020129850893

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

> <ALOGPS_LOGP>
-3.08

> <JCHEM_LOGP>
-4.9142942700149

> <ALOGPS_LOGS>
-1.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.867259542160369

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3442800443845324

> <JCHEM_PKA_STRONGEST_BASIC>
7.838518255590056

> <JCHEM_POLAR_SURFACE_AREA>
164.18999999999997

> <JCHEM_REFRACTIVITY>
67.4033

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.14e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028883
     RDKit          3D
Histidylglutamine
 37 37  0  0  0  0  0  0  0  0999 V2000
   -5.6573    1.2437   -0.7980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2788    0.9332   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4577    1.6996   -0.3351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8206   -0.2566   -1.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3647   -0.4612   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9107   -0.7169   -0.0593 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4645   -0.8951   -0.0426 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3545   -0.0573    0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2074    0.8358    1.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358   -0.1974    0.8025 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3039   -1.2659   -0.0364 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    1.1408    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9003    1.0440    0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6961    1.3177    1.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9584    1.1076    1.1471 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    0.7178   -0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7135    0.6831   -0.5503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886   -1.8985    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706   -2.8419    0.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9490   -2.0200    0.6831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0121    1.7690    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2973    0.9373   -1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580   -0.0523   -2.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4308   -1.1485   -1.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0709   -1.3448   -2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    0.3761   -1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370    0.1267    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411   -1.6484   -0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1994   -0.4041    1.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120   -1.3906    0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010   -1.1700   -1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    1.9628    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156    1.3841   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548    1.6394    2.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860    1.2332    1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8310    0.4664   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4864   -2.8485    0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
  6 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  1 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  0
 10 29  1  1
 11 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 16 36  1  0
 20 37  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    8663.2748666.703   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8664.6088665.933   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8665.9418666.703   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0    8667.2768665.933   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0    8668.6098666.703   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8669.9418665.933   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8671.2748666.703   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8672.6118665.933   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8673.9448666.703   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0    8672.6118664.393   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0    8668.6098668.244   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0    8669.9418669.015   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8667.2768669.015   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8665.9418668.244   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0    8664.6088664.393   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0    8660.6858666.856   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0    8659.4408665.950   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0    8659.9158664.486   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0    8661.4558664.486   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8661.9318665.950   0.000  0.00  0.00           C+0
CONECT    1    2   20                                                       
CONECT    2    1    3   15                                                  
CONECT    3    2    4   14                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    5   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14    3                                                            
CONECT   15    2                                                            
CONECT   16   17   20                                                       
CONECT   17   18   16                                                       
CONECT   18   17   19                                                       
CONECT   19   20   18                                                       
CONECT   20   19   16    1                                                  
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

COMPND    HMDB0028883
HETATM    1  N1  UNL     1      -5.657   1.244  -0.798  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.279   0.933  -0.902  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.458   1.700  -0.335  1.00  0.00           O  
HETATM    4  C2  UNL     1      -3.821  -0.257  -1.656  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.365  -0.461  -1.455  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.911  -0.717  -0.059  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.465  -0.895  -0.043  1.00  0.00           N  
HETATM    8  C5  UNL     1       0.354  -0.057   0.750  1.00  0.00           C  
HETATM    9  O2  UNL     1      -0.207   0.836   1.431  1.00  0.00           O  
HETATM   10  C6  UNL     1       1.836  -0.197   0.802  1.00  0.00           C  
HETATM   11  N3  UNL     1       2.304  -1.266  -0.036  1.00  0.00           N  
HETATM   12  C7  UNL     1       2.437   1.141   0.398  1.00  0.00           C  
HETATM   13  C8  UNL     1       3.900   1.044   0.437  1.00  0.00           C  
HETATM   14  C9  UNL     1       4.696   1.318   1.530  1.00  0.00           C  
HETATM   15  N4  UNL     1       5.958   1.108   1.147  1.00  0.00           N  
HETATM   16  C10 UNL     1       5.982   0.718  -0.127  1.00  0.00           C  
HETATM   17  N5  UNL     1       4.713   0.683  -0.550  1.00  0.00           N  
HETATM   18  C11 UNL     1      -2.589  -1.898   0.551  1.00  0.00           C  
HETATM   19  O3  UNL     1      -1.871  -2.842   0.970  1.00  0.00           O  
HETATM   20  O4  UNL     1      -3.949  -2.020   0.683  1.00  0.00           O  
HETATM   21  H1  UNL     1      -6.012   1.769   0.012  1.00  0.00           H  
HETATM   22  H2  UNL     1      -6.297   0.937  -1.542  1.00  0.00           H  
HETATM   23  H3  UNL     1      -4.058  -0.052  -2.744  1.00  0.00           H  
HETATM   24  H4  UNL     1      -4.431  -1.149  -1.420  1.00  0.00           H  
HETATM   25  H5  UNL     1      -2.071  -1.345  -2.068  1.00  0.00           H  
HETATM   26  H6  UNL     1      -1.746   0.376  -1.881  1.00  0.00           H  
HETATM   27  H7  UNL     1      -2.137   0.127   0.619  1.00  0.00           H  
HETATM   28  H8  UNL     1      -0.041  -1.648  -0.623  1.00  0.00           H  
HETATM   29  H9  UNL     1       2.199  -0.404   1.832  1.00  0.00           H  
HETATM   30  H10 UNL     1       3.312  -1.391   0.089  1.00  0.00           H  
HETATM   31  H11 UNL     1       2.001  -1.170  -1.029  1.00  0.00           H  
HETATM   32  H12 UNL     1       2.069   1.963   1.028  1.00  0.00           H  
HETATM   33  H13 UNL     1       2.116   1.384  -0.655  1.00  0.00           H  
HETATM   34  H14 UNL     1       4.355   1.639   2.503  1.00  0.00           H  
HETATM   35  H15 UNL     1       6.786   1.233   1.761  1.00  0.00           H  
HETATM   36  H16 UNL     1       6.831   0.466  -0.746  1.00  0.00           H  
HETATM   37  H17 UNL     1      -4.486  -2.849   0.607  1.00  0.00           H  
CONECT    1    2   21   22
CONECT    2    3    3    4
CONECT    4    5   23   24
CONECT    5    6   25   26
CONECT    6    7   18   27
CONECT    7    8   28
CONECT    8    9    9   10
CONECT   10   11   12   29
CONECT   11   30   31
CONECT   12   13   32   33
CONECT   13   14   14   17
CONECT   14   15   34
CONECT   15   16   35
CONECT   16   17   17   36
CONECT   18   19   19   20
CONECT   20   37
END

HMDB0028883
     RDKit          3D
Histidylglutamine
 37 37  0  0  0  0  0  0  0  0999 V2000
   -5.6573    1.2437   -0.7980 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2788    0.9332   -0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4577    1.6996   -0.3351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8206   -0.2566   -1.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3647   -0.4612   -1.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9107   -0.7169   -0.0593 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4645   -0.8951   -0.0426 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3545   -0.0573    0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2074    0.8358    1.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8358   -0.1974    0.8025 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3039   -1.2659   -0.0364 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4372    1.1408    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9003    1.0440    0.4369 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6961    1.3177    1.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9584    1.1076    1.1471 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    0.7178   -0.1275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7135    0.6831   -0.5503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886   -1.8985    0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8706   -2.8419    0.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9490   -2.0200    0.6831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0121    1.7690    0.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2973    0.9373   -1.5424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580   -0.0523   -2.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4308   -1.1485   -1.4204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0709   -1.3448   -2.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464    0.3761   -1.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370    0.1267    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0411   -1.6484   -0.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1994   -0.4041    1.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120   -1.3906    0.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010   -1.1700   -1.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0687    1.9628    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1156    1.3841   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3548    1.6394    2.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860    1.2332    1.7614 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8310    0.4664   -0.7459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4864   -2.8485    0.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
  6 18  1  0
 18 19  2  0
 18 20  1  0
 17 13  1  0
  1 21  1  0
  1 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  0
 10 29  1  1
 11 30  1  0
 11 31  1  0
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 16 36  1  0
 20 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
H-Q Dipeptide	HMDB
HQ Dipeptide	HMDB
His-GLN	HMDB
Histidine glutamine dipeptide	HMDB
Histidine-glutamine dipeptide	HMDB
Histidinyl-glutamine	HMDB
Histidinylglutamine	HMDB
Histidyl-glutamine	HMDB
L-His-L-GLN	HMDB
L-Histidinyl-L-glutamine	HMDB
L-Histidyl-L-glutamine	HMDB
N-Histidinylglutamine	HMDB
N-Histidylglutamine	HMDB
N-L-Histidinyl-L-glutamine	HMDB
N-L-Histidyl-L-glutamine	HMDB
Histidylglutamine	HMDB

Chemical Formula

C₁₁H₁₇N₅O₄

Average Molecular Weight

283.288

Monoisotopic Molecular Weight

283.128054047

IUPAC Name

(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-carbamoylbutanoic acid

CAS Registry Number

224638-13-5

SMILES

N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI Identifier

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

InChI Key

CTCFZNBRZBNKAX-YUMQZZPRSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-5.21	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	6.79 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-4.9	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.34	ChemAxon
pKa (Strongest Basic)	7.84	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	164.19 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	67.4 m³·mol⁻¹	ChemAxon
Polarizability	27.69 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	163.145	30932474
DeepCCS	[M-H]-	160.787	30932474
DeepCCS	[M-2H]-	193.683	30932474
DeepCCS	[M+Na]+	169.238	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Histidylglutamine	N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(N)=O)C(O)=O	3560.7	Standard polar	33892256
Histidylglutamine	N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(N)=O)C(O)=O	2516.2	Standard non polar	33892256
Histidylglutamine	N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCC(N)=O)C(O)=O	3236.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Histidylglutamine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=C[NH]C=N1	2876.0	Semi standard non polar	33892256
Histidylglutamine,1TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2922.7	Semi standard non polar	33892256
Histidylglutamine,1TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O	2934.5	Semi standard non polar	33892256
Histidylglutamine,1TMS,isomer #4	C[Si](C)(C)N1C=NC(C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)=C1	3006.4	Semi standard non polar	33892256
Histidylglutamine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[C@@H](CCC(N)=O)C(=O)O	2793.8	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C	2959.2	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C	2651.9	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C	2833.2	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C	2760.8	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)C(=O)O	3069.5	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)C(=O)O	2775.5	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[C@@H](CCC(N)=O)C(=O)O	2928.4	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[C@@H](CCC(N)=O)C(=O)O	2685.0	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2933.0	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2640.1	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C	2793.6	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C	2591.9	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1	2993.0	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1	2608.2	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C)C(=O)O	2998.1	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C)C(=O)O	2842.6	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #6	C[Si](C)(C)N([C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	3018.5	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #6	C[Si](C)(C)N([C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2808.3	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3036.1	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2740.3	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2858.5	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2701.8	Standard non polar	33892256
Histidylglutamine,2TMS,isomer #9	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C	3005.7	Semi standard non polar	33892256
Histidylglutamine,2TMS,isomer #9	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C	2811.1	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2979.2	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2764.6	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C)[Si](C)(C)C	2870.5	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C)[Si](C)(C)C	2831.3	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N[Si](C)(C)C)C(=O)O	3090.3	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N[Si](C)(C)C)C(=O)O	2843.3	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3041.8	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2897.9	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #13	C[Si](C)(C)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	3166.2	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #13	C[Si](C)(C)N([C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2870.9	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #14	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2927.0	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #14	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2810.2	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2952.5	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #15	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2761.2	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #16	C[Si](C)(C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2874.9	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #16	C[Si](C)(C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2834.5	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C	3122.0	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)C(=O)O)[Si](C)(C)C	2867.3	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C	2956.9	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C	2795.7	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC1=C[NH]C=N1	2968.1	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC1=C[NH]C=N1	2736.4	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C	2821.8	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C	2699.5	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	3033.6	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)C(=O)O[Si](C)(C)C	2711.1	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C	2989.4	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C	2751.9	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	3015.4	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2686.0	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2830.1	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2666.5	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C	2901.4	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C	2660.4	Standard non polar	33892256
Histidylglutamine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3012.2	Semi standard non polar	33892256
Histidylglutamine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2893.8	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2974.1	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2846.2	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2916.5	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2742.8	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3086.5	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2972.5	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3116.4	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2931.4	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2914.3	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2913.4	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N[Si](C)(C)C)[Si](C)(C)C	2975.8	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N[Si](C)(C)C)[Si](C)(C)C	2872.0	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2925.8	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2914.9	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3164.0	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2953.2	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3052.7	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2898.5	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2987.0	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2898.5	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C)[Si](C)(C)C	2839.5	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C)[Si](C)(C)C	2799.9	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3049.8	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2795.7	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2981.3	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2853.0	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C	2869.5	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C	2795.0	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1	3052.6	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1	2827.6	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C	2905.6	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C	2769.0	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2943.5	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2787.6	Standard non polar	33892256
Histidylglutamine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C	3116.6	Semi standard non polar	33892256
Histidylglutamine,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C	2830.3	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C	3068.9	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C	2942.3	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #10	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3219.6	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #10	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3054.4	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3024.1	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2974.2	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3060.0	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2992.2	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3060.6	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2893.5	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2922.4	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2881.4	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N[Si](C)(C)C)[Si](C)(C)C	2943.5	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N[Si](C)(C)C)[Si](C)(C)C	2848.4	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2952.3	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2886.0	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #6	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3108.1	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #6	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2920.3	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C	2975.2	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C)C=N1)[Si](C)(C)C	2878.8	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3063.3	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2883.1	Standard non polar	33892256
Histidylglutamine,5TMS,isomer #9	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3026.5	Semi standard non polar	33892256
Histidylglutamine,5TMS,isomer #9	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3011.8	Standard non polar	33892256
Histidylglutamine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3087.6	Semi standard non polar	33892256
Histidylglutamine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2975.6	Standard non polar	33892256
Histidylglutamine,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C	3203.3	Semi standard non polar	33892256
Histidylglutamine,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C	3022.9	Standard non polar	33892256
Histidylglutamine,6TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3023.6	Semi standard non polar	33892256
Histidylglutamine,6TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C)C=N1)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2957.6	Standard non polar	33892256
Histidylglutamine,6TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3078.1	Semi standard non polar	33892256
Histidylglutamine,6TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2974.2	Standard non polar	33892256
Histidylglutamine,6TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3176.0	Semi standard non polar	33892256
Histidylglutamine,6TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3093.1	Standard non polar	33892256
Histidylglutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3226.6	Semi standard non polar	33892256
Histidylglutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C=N1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3082.4	Standard non polar	33892256
Histidylglutamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=C[NH]C=N1	3118.2	Semi standard non polar	33892256
Histidylglutamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3123.4	Semi standard non polar	33892256
Histidylglutamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O	3162.1	Semi standard non polar	33892256
Histidylglutamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C=NC(C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)=C1	3226.6	Semi standard non polar	33892256
Histidylglutamine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[C@@H](CCC(N)=O)C(=O)O	3057.0	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C	3382.6	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O[Si](C)(C)C(C)(C)C	3026.6	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C	3306.9	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C	3105.0	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O	3551.6	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O	3100.2	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](CCC(N)=O)C(=O)O	3399.6	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](CCC(N)=O)C(=O)O	3053.3	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3353.7	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3058.9	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C	3275.1	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C	3008.2	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1	3464.1	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1	3002.3	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C(C)(C)C)C(=O)O	3400.5	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C(C)(C)C)C(=O)O	3180.7	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N([C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3432.5	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N([C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3175.1	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3490.0	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3129.5	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3305.6	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3090.8	Standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C(C)(C)C	3427.8	Semi standard non polar	33892256
Histidylglutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CC1=C[NH]C=N1)C(=O)O)[Si](C)(C)C(C)(C)C	3163.4	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3600.6	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3276.4	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3519.0	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3301.4	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N[Si](C)(C)C(C)(C)C)C(=O)O	3757.2	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N[Si](C)(C)C(C)(C)C)C(=O)O	3340.3	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3701.3	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3374.7	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3824.2	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3391.9	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3590.6	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3325.5	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3651.8	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3293.4	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3543.4	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3322.7	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C	3791.3	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O)[Si](C)(C)C(C)(C)C	3372.7	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C	3645.8	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C	3277.1	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CC1=C[NH]C=N1	3603.7	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CC1=C[NH]C=N1	3271.9	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C	3495.6	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C	3208.1	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C	3700.3	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)O[Si](C)(C)C(C)(C)C	3235.0	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3659.6	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3285.2	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3668.1	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3261.8	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3525.1	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3218.2	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C	3600.4	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C	3210.5	Standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3653.6	Semi standard non polar	33892256
Histidylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3391.2	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(=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	3804.7	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N[C@@H](CCC(=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	3486.2	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3816.8	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3435.6	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)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	3943.8	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)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	3589.4	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3982.6	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3585.2	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(=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	3755.7	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(=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	3518.6	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3834.2	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3493.7	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3803.7	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3512.9	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4045.0	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3578.7	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3946.3	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3546.0	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3874.8	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3520.1	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3691.2	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3414.7	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3885.1	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3455.3	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)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	3879.9	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=C[NH]C=N1)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	3468.8	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C	3735.3	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC1=C[NH]C=N1)[Si](C)(C)C(C)(C)C	3434.0	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1	3914.1	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1	3490.6	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C	3802.3	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C	3414.8	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3817.2	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3448.6	Standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3985.2	Semi standard non polar	33892256
Histidylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3503.0	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4131.5	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3672.2	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)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	4287.0	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)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	3803.1	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N([C@@H](CCC(=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	4069.2	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N([C@@H](CCC(=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	3721.9	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4143.5	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3730.4	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(=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	4098.1	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)C(=O)N[C@@H](CCC(=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	3685.6	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(=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)[Si](C)(C)C(C)(C)C	3921.2	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CC1=C[NH]C=N1)C(=O)N([C@@H](CCC(=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)[Si](C)(C)C(C)(C)C	3617.3	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3977.9	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3621.1	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4002.7	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3618.2	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)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	4181.7	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)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	3683.6	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C	4036.6	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC1=CN([Si](C)(C)C(C)(C)C)C=N1)[Si](C)(C)C(C)(C)C	3650.3	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4130.0	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3677.9	Standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4086.3	Semi standard non polar	33892256
Histidylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C=N1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3718.7	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Histidylglutamine 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 - Histidylglutamine 10V, Positive-QTOF	splash10-001i-0590000000-02fb59662f361a0c4b99	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidylglutamine 20V, Positive-QTOF	splash10-03di-3930000000-2f45ea5ac04e1295ad2a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidylglutamine 40V, Positive-QTOF	splash10-03ec-9500000000-cd437be7b605ee6ff236	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidylglutamine 10V, Negative-QTOF	splash10-001i-0190000000-fc58060183e6d680d010	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidylglutamine 20V, Negative-QTOF	splash10-0036-5920000000-c6ce357809ad873352c1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Histidylglutamine 40V, Negative-QTOF	splash10-0006-9200000000-f9306e2247b971aed61e	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111912

KNApSAcK ID

Not Available

Chemspider ID

8076082

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9900427

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

Au NH, Wong AY, Vickars L, MacGillivray RT, Wadsworth LD: Two new examples of Hb St. Etienne [beta 92(F8)HisGln] in association with venous thrombosis. Hemoglobin. 2009;33(2):95-100. doi: 10.1080/03630260902817206. [PubMed:19373584 ]

Showing metabocard for Histidylglutamine (HMDB0028883)

MOL for HMDB0028883 (Histidylglutamine)

3D MOL for HMDB0028883 (Histidylglutamine)

3D SDF for HMDB0028883 (Histidylglutamine)

3D-SDF for HMDB0028883 (Histidylglutamine)

PDB for HMDB0028883 (Histidylglutamine)

3D PDB for HMDB0028883 (Histidylglutamine)

SMILES for HMDB0028883 (Histidylglutamine)

INCHI for HMDB0028883 (Histidylglutamine)

Structure for HMDB0028883 (Histidylglutamine)

3D Structure for HMDB0028883 (Histidylglutamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra