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enzymes (1) Show 1 protein

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2009-02-03 10:25:42 UTC

Update Date

2021-09-14 15:46:19 UTC

HMDB ID

HMDB0011654

Secondary Accession Numbers

HMDB11654

Metabolite Identification

Common Name

2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine

Description

2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine is an unusual amino acid that results from the post-translational modification of histidine in certain proteins. In particular, it is a post-translational derivative of histidine that exists in protein synthesis elongation factor 2 (EF2) at the site of diphtheria toxin-catalyzed ADP-ribosylation of elongation factor 2. It is a precursor for diphthamide. This compound is a substrate for the enzyme diphthine synthase (EC 2.1.1.98). This enzyme catalyzes the chemical reaction: S-adenosyl-L-methionine + 2-(3-carboxy-3-aminopropyl)-L-histidine = S-adenosyl-L-homocysteine + 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine.

Structure

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

HMDB0011654
     RDKit          3D
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine
 38 38  0  0  0  0  0  0  0  0999 V2000
   -4.7995    0.0815   -0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5821   -0.6627   -0.4968 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.9884   -0.5450    0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230    0.8330    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427    1.4593    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2166    0.8227    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3324   -0.2281    0.7054 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5926   -0.4444    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637    0.5408   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    0.7491   -1.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1755   -0.2560   -1.0009 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8019   -1.6212   -1.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416   -0.0354    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8997   -0.9976    1.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0864    1.2495    0.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543    1.2852   -0.7274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908   -1.6626    1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442   -1.9086    2.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7081   -2.4833    0.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4738   -0.2198    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6304    1.1709   -0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2886   -0.2070   -1.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8186   -1.6820   -0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9143   -0.3027   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9149   -0.6592    1.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337    0.9242    2.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    1.4890    1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    2.4963    0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9427    1.7054   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2343   -1.2396    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895    1.7628   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258    0.7531   -2.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0311   -0.0666   -1.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208   -1.8693   -2.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1856   -2.2918   -0.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    2.0574    0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    2.1219   -1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -2.1192   -0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
  9 16  1  0
  3 17  1  0
 17 18  2  0
 17 19  1  0
 16  6  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  8 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  6
 12 34  1  0
 12 35  1  0
 15 36  1  0
 16 37  1  0
 19 38  1  0
M  CHG  1   2   1
M  END


  Mrv0541 02241201492D          

 19 19  0  0  1  0            999 V2000
   13.4887   -8.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2338   -7.4410    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   13.7858   -6.8275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5309   -6.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0830   -5.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8280   -4.6454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3125   -3.9780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8280   -3.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0434   -3.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0434   -4.3905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3760   -3.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6224   -3.4160    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9549   -2.9310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0411   -2.1109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2013   -3.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5361   -4.2367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5928   -6.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8477   -7.7840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1449   -6.3859    0.0000 O   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
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  6  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  1   2   1
M  END
> <DATABASE_ID>
HMDB0011654

> <DATABASE_NAME>
hmdb

> <SMILES>
C[NH2+]C(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p+1/t7-,8?/m0/s1

> <INCHI_KEY>
YBMOTEQVMANKGX-JAMMHHFISA-O

> <FORMULA>
C11H19N4O4

> <MOLECULAR_WEIGHT>
271.293

> <EXACT_MASS>
271.140630116

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
27.905161848285083

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxypropyl)(methyl)azanium

> <ALOGPS_LOGP>
-1.31

> <JCHEM_LOGP>
-6.256054221514534

> <ALOGPS_LOGS>
-2.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
2.091107228921873

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4249838958401044

> <JCHEM_PKA_STRONGEST_BASIC>
10.592317287195943

> <JCHEM_POLAR_SURFACE_AREA>
145.91

> <JCHEM_REFRACTIVITY>
77.33319999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3-{4-[(2S)-2-amino-2-carboxyethyl]-3H-imidazol-2-yl}-1-carboxypropyl)(methyl)azanium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0011654
     RDKit          3D
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine
 38 38  0  0  0  0  0  0  0  0999 V2000
   -4.7995    0.0815   -0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5821   -0.6627   -0.4968 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.9884   -0.5450    0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230    0.8330    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427    1.4593    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2166    0.8227    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3324   -0.2281    0.7054 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5926   -0.4444    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637    0.5408   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    0.7491   -1.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1755   -0.2560   -1.0009 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8019   -1.6212   -1.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416   -0.0354    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8997   -0.9976    1.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0864    1.2495    0.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543    1.2852   -0.7274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908   -1.6626    1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442   -1.9086    2.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7081   -2.4833    0.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4738   -0.2198    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6304    1.1709   -0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2886   -0.2070   -1.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8186   -1.6820   -0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9143   -0.3027   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9149   -0.6592    1.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337    0.9242    2.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    1.4890    1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    2.4963    0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9427    1.7054   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2343   -1.2396    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895    1.7628   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258    0.7531   -2.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0311   -0.0666   -1.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208   -1.8693   -2.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1856   -2.2918   -0.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    2.0574    0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    2.1219   -1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -2.1192   -0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
  9 16  1  0
  3 17  1  0
 17 18  2  0
 17 19  1  0
 16  6  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  8 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  6
 12 34  1  0
 12 35  1  0
 15 36  1  0
 16 37  1  0
 19 38  1  0
M  CHG  1   2   1
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      25.179 -15.353   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      24.703 -13.890   0.000  0.00  0.00           N+1
HETATM    3  C   UNK     0      25.733 -12.745   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.258 -11.280   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      26.288 -10.136   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      25.812  -8.671   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      26.717  -7.426   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      25.812  -6.180   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      24.348  -6.656   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      24.348  -8.196   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      23.102  -5.750   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.695  -6.377   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      20.449  -5.471   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      20.610  -3.940   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      19.042  -6.097   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      21.534  -7.909   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      27.240 -13.066   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      27.716 -14.530   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      28.270 -11.920   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   17                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   10                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    6    9                                                       
CONECT   11    9   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   12                                                            
CONECT   17    3   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

COMPND    HMDB0011654
HETATM    1  C1  UNL     1      -4.799   0.082  -0.615  1.00  0.00           C  
HETATM    2  N1  UNL     1      -3.582  -0.663  -0.497  1.00  0.00           N1+
HETATM    3  C2  UNL     1      -2.988  -0.545   0.833  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.523   0.833   1.090  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.543   1.459   0.197  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.217   0.823   0.102  1.00  0.00           C  
HETATM    7  N2  UNL     1       0.332  -0.228   0.705  1.00  0.00           N  
HETATM    8  C6  UNL     1       1.593  -0.444   0.296  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.864   0.541  -0.635  1.00  0.00           C  
HETATM   10  C8  UNL     1       3.115   0.749  -1.383  1.00  0.00           C  
HETATM   11  C9  UNL     1       4.176  -0.256  -1.001  1.00  0.00           C  
HETATM   12  N3  UNL     1       3.802  -1.621  -1.229  1.00  0.00           N  
HETATM   13  C10 UNL     1       4.742  -0.035   0.343  1.00  0.00           C  
HETATM   14  O1  UNL     1       4.900  -0.998   1.114  1.00  0.00           O  
HETATM   15  O2  UNL     1       5.086   1.250   0.718  1.00  0.00           O  
HETATM   16  N4  UNL     1       0.754   1.285  -0.727  1.00  0.00           N  
HETATM   17  C11 UNL     1      -2.091  -1.663   1.062  1.00  0.00           C  
HETATM   18  O3  UNL     1      -1.644  -1.909   2.210  1.00  0.00           O  
HETATM   19  O4  UNL     1      -1.708  -2.483   0.019  1.00  0.00           O  
HETATM   20  H1  UNL     1      -5.474  -0.220   0.234  1.00  0.00           H  
HETATM   21  H2  UNL     1      -4.630   1.171  -0.646  1.00  0.00           H  
HETATM   22  H3  UNL     1      -5.289  -0.207  -1.560  1.00  0.00           H  
HETATM   23  H4  UNL     1      -3.819  -1.682  -0.648  1.00  0.00           H  
HETATM   24  H5  UNL     1      -2.914  -0.303  -1.219  1.00  0.00           H  
HETATM   25  H6  UNL     1      -3.915  -0.659   1.530  1.00  0.00           H  
HETATM   26  H7  UNL     1      -2.134   0.924   2.151  1.00  0.00           H  
HETATM   27  H8  UNL     1      -3.442   1.489   1.119  1.00  0.00           H  
HETATM   28  H9  UNL     1      -1.338   2.496   0.625  1.00  0.00           H  
HETATM   29  H10 UNL     1      -1.943   1.705  -0.822  1.00  0.00           H  
HETATM   30  H11 UNL     1       2.234  -1.240   0.644  1.00  0.00           H  
HETATM   31  H12 UNL     1       3.489   1.763  -1.105  1.00  0.00           H  
HETATM   32  H13 UNL     1       2.926   0.753  -2.472  1.00  0.00           H  
HETATM   33  H14 UNL     1       5.031  -0.067  -1.730  1.00  0.00           H  
HETATM   34  H15 UNL     1       3.921  -1.869  -2.222  1.00  0.00           H  
HETATM   35  H16 UNL     1       4.186  -2.292  -0.553  1.00  0.00           H  
HETATM   36  H17 UNL     1       4.506   2.057   0.640  1.00  0.00           H  
HETATM   37  H18 UNL     1       0.636   2.122  -1.356  1.00  0.00           H  
HETATM   38  H19 UNL     1      -1.299  -2.119  -0.843  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3   23   24
CONECT    3    4   17   25
CONECT    4    5   26   27
CONECT    5    6   28   29
CONECT    6    7    7   16
CONECT    7    8
CONECT    8    9    9   30
CONECT    9   10   16
CONECT   10   11   31   32
CONECT   11   12   13   33
CONECT   12   34   35
CONECT   13   14   14   15
CONECT   15   36
CONECT   16   37
CONECT   17   18   18   19
CONECT   19   38
END

HMDB0011654
     RDKit          3D
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine
 38 38  0  0  0  0  0  0  0  0999 V2000
   -4.7995    0.0815   -0.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5821   -0.6627   -0.4968 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.9884   -0.5450    0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5230    0.8330    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427    1.4593    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2166    0.8227    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3324   -0.2281    0.7054 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5926   -0.4444    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637    0.5408   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    0.7491   -1.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1755   -0.2560   -1.0009 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8019   -1.6212   -1.2288 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416   -0.0354    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8997   -0.9976    1.1141 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0864    1.2495    0.7179 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7543    1.2852   -0.7274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908   -1.6626    1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6442   -1.9086    2.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7081   -2.4833    0.0186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4738   -0.2198    0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6304    1.1709   -0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2886   -0.2070   -1.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8186   -1.6820   -0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9143   -0.3027   -1.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9149   -0.6592    1.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1337    0.9242    2.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4418    1.4890    1.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3379    2.4963    0.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9427    1.7054   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2343   -1.2396    0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4895    1.7628   -1.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9258    0.7531   -2.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0311   -0.0666   -1.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208   -1.8693   -2.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1856   -2.2918   -0.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5058    2.0574    0.6405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    2.1219   -1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -2.1192   -0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
  9 16  1  0
  3 17  1  0
 17 18  2  0
 17 19  1  0
 16  6  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  8 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  6
 12 34  1  0
 12 35  1  0
 15 36  1  0
 16 37  1  0
 19 38  1  0
M  CHG  1   2   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
EF-2 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine	ChEBI
Elongation factor 2 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine	ChEBI
1-Carboxy-3-(L-histidin-2-yl)-N-methylpropan-1-aminium	HMDB
2-[3-Carboxy-3-(methylammonio)propyl]-his	HMDB
2-[3-Carboxy-3-(methylammonio)propyl]-histidine	HMDB
[3-[[4-(2-amino-2-Carboxy-ethyl)-1H-imidazol-2-yl]]-1-carboxy- propyl]-methyl-ammonium	HMDB

Chemical Formula

C₁₁H₁₉N₄O₄

Average Molecular Weight

271.293

Monoisotopic Molecular Weight

271.140630116

IUPAC Name

(3-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxypropyl)(methyl)azanium

Traditional Name

(3-{4-[(2S)-2-amino-2-carboxyethyl]-3H-imidazol-2-yl}-1-carboxypropyl)(methyl)azanium

CAS Registry Number

Not Available

SMILES

C[NH2+]C(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O

InChI Identifier

InChI=1S/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p+1/t7-,8?/m0/s1

InChI Key

YBMOTEQVMANKGX-JAMMHHFISA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Histidine and derivatives

Alternative Parents

Substituents

Histidine or derivatives
Alpha-amino acid
L-alpha-amino acid
Aralkylamine
Dicarboxylic acid or derivatives
Azole
Imidazole
Heteroaromatic compound
Amino acid
Carboxylic acid
Secondary aliphatic amine
Secondary amine
Organoheterocyclic compound
Azacycle
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Amine
Organic nitrogen compound
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organic cation
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

ammonium ion (CHEBI:16475 )

Ontology

Not Available

Endogenous (HMDB: HMDB0011654)

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

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)

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	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.2 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-6.3	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	1.42	ChemAxon
pKa (Strongest Basic)	10.59	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	145.91 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	77.33 m³·mol⁻¹	ChemAxon
Polarizability	27.91 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]+	157.802	30932474
DeepCCS	[M-H]-	155.444	30932474
DeepCCS	[M-2H]-	188.33	30932474
DeepCCS	[M+Na]+	163.895	30932474
AllCCS	[M+H]+	160.9	32859911
AllCCS	[M+H-H2O]+	157.8	32859911
AllCCS	[M+NH4]+	163.8	32859911
AllCCS	[M+Na]+	164.6	32859911
AllCCS	[M-H]-	163.8	32859911
AllCCS	[M+Na-2H]-	164.0	32859911
AllCCS	[M+HCOO]-	164.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O	3708.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O	2163.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O	2757.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TMS,isomer #1	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O	2595.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TMS,isomer #2	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C	2595.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C	2811.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O	2704.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O	2695.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #1	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2515.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #10	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2831.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #11	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2775.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #12	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O	2740.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #2	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	2776.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #3	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O	2644.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2659.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #5	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2759.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #6	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C	2652.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #7	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2640.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C	2829.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TMS,isomer #9	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3000.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2704.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2552.3	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3581.6	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #10	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2928.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #10	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2693.8	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #10	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	4200.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2776.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2605.5	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3747.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #12	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2726.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #12	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2623.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #12	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	3305.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #13	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2679.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #13	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2545.3	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #13	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3265.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #14	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3024.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #14	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2770.9	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #14	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3971.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #15	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	2931.7	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #15	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	2732.5	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #15	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	3516.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #16	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2849.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #16	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2655.1	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #16	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3495.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #17	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3022.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #17	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2795.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #17	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	4283.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #18	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2841.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #18	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2687.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #18	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3426.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #2	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2579.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #2	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2521.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #2	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	3166.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #3	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2615.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #3	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2536.5	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #3	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3452.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #4	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	2771.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #4	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	2634.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #4	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	3391.6	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #5	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2957.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #5	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2748.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #5	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	4044.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #6	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2791.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #6	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2638.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #6	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3589.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #7	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2766.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #7	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	2653.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #7	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O	3366.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #8	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2698.7	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #8	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2596.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #8	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3287.6	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #9	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2782.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #9	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2615.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TMS,isomer #9	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3454.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2722.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2649.8	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3082.6	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #10	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2831.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #10	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	2728.8	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #10	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O	3123.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #11	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2934.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #11	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2747.9	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #11	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3586.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #12	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2893.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #12	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2744.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #12	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3219.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #13	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2802.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #13	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2672.5	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #13	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3199.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #14	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2940.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #14	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2770.9	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #14	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3875.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #15	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2795.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #15	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2689.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #15	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	3069.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #16	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3117.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #16	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2886.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #16	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3697.2	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #17	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3020.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #17	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2832.9	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #17	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3655.8	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #18	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2990.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #18	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2803.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #18	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3284.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #2	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2847.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #2	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2708.3	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #2	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3709.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2748.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2644.9	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3377.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2715.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2635.3	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C	2946.6	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2658.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2593.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2908.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #6	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2927.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #6	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2778.1	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #6	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3557.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #7	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	2927.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #7	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	2752.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #7	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C	3197.8	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2813.7	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2703.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3146.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #9	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2938.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #9	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2827.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TMS,isomer #9	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3763.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #1	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2866.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #1	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2755.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #1	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3285.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #10	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2945.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #10	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2811.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #10	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3383.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2950.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2808.1	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3020.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #12	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3164.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #12	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2948.9	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #12	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3488.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #2	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2871.7	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #2	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2754.9	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #2	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2924.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2791.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2709.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2888.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #4	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2877.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #4	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2789.5	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #4	C[N+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3522.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2806.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2713.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C	2763.2	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #6	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3076.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #6	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2888.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #6	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3416.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #7	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2929.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #7	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2847.3	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #7	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3364.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2969.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2825.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3002.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #9	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3046.7	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #9	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2861.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TMS,isomer #9	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3411.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #1	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3043.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #1	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2869.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #1	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3162.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #2	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2903.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #2	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2839.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #2	C[N+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3139.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2961.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2829.3	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2804.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #4	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3113.7	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #4	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	2955.6	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #4	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)([Si](C)(C)C)[Si](C)(C)C	3262.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #5	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3114.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #5	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2929.1	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,6TMS,isomer #5	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3258.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,7TMS,isomer #1	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3122.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,7TMS,isomer #1	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	2955.8	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,7TMS,isomer #1	C[N+](C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C	3070.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TBDMS,isomer #1	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	2855.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TBDMS,isomer #2	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	2855.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TBDMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3028.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TBDMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O	2941.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,1TBDMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O	2910.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #1	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3001.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #10	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3292.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #11	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3228.7	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #12	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O	3186.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #2	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3245.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #3	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3132.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3114.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #5	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3218.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #6	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3124.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #7	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3092.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3296.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)[N+](C)(C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3405.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3394.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3195.8	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3684.6	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3547.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3424.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4270.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3462.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3221.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3782.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #12	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3415.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #12	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3225.6	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #12	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3383.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #13	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3348.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #13	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3158.1	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #13	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3360.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3642.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3492.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	4073.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #15	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3587.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #15	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3334.9	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #15	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3609.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #16	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3546.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #16	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3274.9	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #16	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3594.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N1C(C[C@H](N)C(=O)O)=CN=C1CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3653.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N1C(C[C@H](N)C(=O)O)=CN=C1CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3494.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N1C(C[C@H](N)C(=O)O)=CN=C1CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4284.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #18	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3524.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #18	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3296.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #18	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3464.2	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #2	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3264.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #2	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3154.1	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #2	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3302.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #3	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3281.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #3	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3147.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #3	C[NH2+]C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3522.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #4	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3474.7	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #4	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3265.8	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #4	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3533.8	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3566.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	3479.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1	4157.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #6	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3475.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #6	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3263.5	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #6	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3673.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #7	C[NH2+]C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O	3458.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #7	C[NH2+]C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O	3294.6	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #7	C[NH2+]C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O	3428.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #8	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3360.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #8	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3225.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #8	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3380.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #9	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3468.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #9	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3250.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,3TBDMS,isomer #9	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3574.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3599.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3397.1	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #1	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3400.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #10	C[NH2+]C(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O	3715.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #10	C[NH2+]C(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O	3471.3	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #10	C[NH2+]C(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O	3289.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3767.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3655.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O	3896.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #12	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3762.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #12	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3480.1	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #12	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3458.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #13	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3686.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #13	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3407.6	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #13	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3461.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3786.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3639.8	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4093.2	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #15	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3700.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #15	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3389.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #15	C[NH2+]C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3248.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3902.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3739.8	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3941.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3867.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3695.3	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3923.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #18	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3875.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #18	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3520.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #18	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3497.7	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3685.2	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3634.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3999.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3621.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3385.6	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3582.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3616.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3373.3	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #4	C[NH2+]C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3187.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3494.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3310.6	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3188.1	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3754.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3684.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3867.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #7	C[NH+](C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3798.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #7	C[NH+](C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3510.5	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #7	C[NH+](C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C	3446.2	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3675.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3436.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3429.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3767.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	3699.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C	4021.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3864.1	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3783.6	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C	3756.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3976.0	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3800.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O	3816.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4031.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3643.7	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #11	C[NH+](C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3382.2	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4174.4	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3897.4	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3863.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #2	C[NH+](C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3949.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #2	C[NH+](C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3622.6	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #2	C[NH+](C(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3328.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3804.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3557.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #3	C[NH+](C(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3338.9	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3909.6	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3806.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3944.3	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3863.9	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3543.6	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #5	C[NH2+]C(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3152.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4053.3	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3898.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3817.5	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3931.7	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3837.1	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3796.0	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4031.5	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3676.2	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #8	C[NH+](C(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3375.4	Standard polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4058.8	Semi standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3859.0	Standard non polar	33892256
2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)[N+](C)([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3823.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine GC-MS (Non-derivatized) - 70eV, Positive	splash10-00c3-5950000000-8d8531a8962d98bce733	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine GC-MS (2 TMS) - 70eV, Positive	splash10-0uk9-6396000000-dad13bde2626e3b2434e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 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 - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 10V, Positive-QTOF	splash10-00di-0090000000-1f393c0ea0a92d6031e1	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 20V, Positive-QTOF	splash10-01q9-0090000000-0c7cb2be23e59d69e473	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 40V, Positive-QTOF	splash10-02e9-9630000000-8921612205d259e1d741	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 10V, Negative-QTOF	splash10-00di-8090000000-becfe845d15fd5c1b0e7	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 20V, Negative-QTOF	splash10-00di-9080000000-4b8c28900abb9566d066	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 40V, Negative-QTOF	splash10-00dl-9010000000-e1ea27f3e9093efbaac5	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 10V, Positive-QTOF	splash10-00fr-0090000000-66a1fe26570d43a0aba7	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 20V, Positive-QTOF	splash10-004j-0490000000-fae35f1d1ac38709f83f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine 40V, Positive-QTOF	splash10-002s-2900000000-0ca514fb76d9df5640eb	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

FDB028345

KNApSAcK ID

Not Available

Chemspider ID

389379

KEGG Compound ID

C04692

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440443

PDB ID

Not Available

ChEBI ID

16475

Food Biomarker Ontology

Not Available

VMH ID

M02700

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Diphthine synthase

General function:: Involved in methyltransferase activity
Specific function:: S-adenosyl-L-methionine-dependent methyltransferase that catalyzes the trimethylation of the amino group of the modified target histidine residue in translation elongation factor 2 (EF-2), to form an intermediate called diphthine. The three successive methylation reactions represent the second step of diphthamide biosynthesis (By similarity).
Gene Name:: DPH5
Uniprot ID:: Q9H2P9
Molecular weight:: 31651.17

Showing metabocard for 2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine (HMDB0011654)

MOL for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

3D MOL for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

3D SDF for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

3D-SDF for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

PDB for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

3D PDB for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

SMILES for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

INCHI for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

Structure for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

3D Structure for HMDB0011654 (2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes