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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:06 UTC

Update Date

2021-09-14 15:47:05 UTC

HMDB ID

HMDB0028950

Secondary Accession Numbers

HMDB28950

Metabolite Identification

Common Name

Lysylglutamic acid

Description

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

Structure

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

HMDB0028950
     RDKit          3D
Lysylglutamic acid
 40 39  0  0  0  0  0  0  0  0999 V2000
   -4.8943    1.4212    0.3379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1678    0.3052    0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1523   -0.9012    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5105   -0.7000   -1.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0857   -0.2957   -1.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1505   -1.2868   -0.6122 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4682   -1.4898    0.7656 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579   -0.8510   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -0.5991   -1.9401 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066   -0.7106    0.3147 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072   -0.2816    0.1683 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6417    1.0328    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9872    1.6586    0.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512    1.9707   -0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9225    1.7401   -1.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8068    2.5341   -0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822   -1.3289    0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -2.3759    1.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7469   -1.1687    0.6724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2055    2.0804    1.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7734    1.0177   -0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7987    0.0349    1.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2045    0.6245    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2447   -1.1220   -0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8066   -1.7752    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714   -1.6915   -1.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1076   -0.0182   -1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9006    0.7428   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7809   -0.2786   -2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481   -2.2230   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -2.3350    1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903   -0.6567    1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227   -0.8930    1.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919   -0.1171   -0.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440    0.8723    1.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    1.7139    0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8956    2.6393    1.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    1.0761    1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9965    3.5173   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798   -1.8822    1.0140 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  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  6
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 16 39  1  0
 19 40  1  0
M  END

      
  Mrv1652304062013582D          

 19 18  0  0  0  0            999 V2000
10000.4529 9998.6650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9999.7386 9998.2525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0241 9998.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.3087 9998.2525    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9997.5947 9998.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8807 9998.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.1645 9998.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.4503 9998.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.7343 9998.6650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.3087 9997.4275    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.0241 9999.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.7386 9999.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.1675 9999.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.4529 9999.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8820 9998.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.1675 9998.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.5964 9998.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.5965 9997.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.3109 9998.6650    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 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
  1 14  1  6  0  0  0
 16 15  1  0  0  0  0
  1 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028950

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1

> <INCHI_KEY>
UGTZHPSKYRIGRJ-YUMQZZPRSA-N

> <FORMULA>
C11H21N3O5

> <MOLECULAR_WEIGHT>
275.305

> <EXACT_MASS>
275.148120788

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
28.04623184496959

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2,6-diaminohexanamido]pentanedioic acid

> <ALOGPS_LOGP>
-3.92

> <JCHEM_LOGP>
-6.127663341480424

> <ALOGPS_LOGS>
-1.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.017844318348083

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.259694632904861

> <JCHEM_PKA_STRONGEST_BASIC>
10.212613125675093

> <JCHEM_POLAR_SURFACE_AREA>
155.73999999999998

> <JCHEM_REFRACTIVITY>
65.8973

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.01e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2,6-diaminohexanamido]pentanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028950
     RDKit          3D
Lysylglutamic acid
 40 39  0  0  0  0  0  0  0  0999 V2000
   -4.8943    1.4212    0.3379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1678    0.3052    0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1523   -0.9012    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5105   -0.7000   -1.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0857   -0.2957   -1.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1505   -1.2868   -0.6122 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4682   -1.4898    0.7656 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579   -0.8510   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -0.5991   -1.9401 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066   -0.7106    0.3147 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072   -0.2816    0.1683 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6417    1.0328    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9872    1.6586    0.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512    1.9707   -0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9225    1.7401   -1.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8068    2.5341   -0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822   -1.3289    0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -2.3759    1.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7469   -1.1687    0.6724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2055    2.0804    1.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7734    1.0177   -0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7987    0.0349    1.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2045    0.6245    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2447   -1.1220   -0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8066   -1.7752    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714   -1.6915   -1.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1076   -0.0182   -1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9006    0.7428   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7809   -0.2786   -2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481   -2.2230   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -2.3350    1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903   -0.6567    1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227   -0.8930    1.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919   -0.1171   -0.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440    0.8723    1.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    1.7139    0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8956    2.6393    1.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    1.0761    1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9965    3.5173   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798   -1.8822    1.0140 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  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  6
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 16 39  1  0
 19 40  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    8667.5128664.175   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8666.1798663.405   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    8664.8458664.175   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8663.5108663.405   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8662.1778664.175   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8660.8448663.405   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8659.5078664.175   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8658.1748663.405   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8656.8378664.175   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0    8663.5108661.865   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    8664.8458665.716   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8666.1798666.486   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8668.8468666.486   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8667.5128665.716   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8670.1808664.175   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8668.8468663.405   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8671.5138663.405   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    8671.5138661.864   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    8672.8478664.175   0.000  0.00  0.00           O+0
CONECT    1    2   14   16                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    4                                                            
CONECT   11    3                                                            
CONECT   12   14                                                            
CONECT   13   14                                                            
CONECT   14   12   13    1                                                  
CONECT   15   16   17                                                       
CONECT   16   15    1                                                       
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0028950
HETATM    1  N1  UNL     1      -4.894   1.421   0.338  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.168   0.305   0.965  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.152  -0.901   0.076  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.511  -0.700  -1.240  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.086  -0.296  -1.264  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.150  -1.287  -0.612  1.00  0.00           C  
HETATM    7  N2  UNL     1      -1.468  -1.490   0.766  1.00  0.00           N  
HETATM    8  C6  UNL     1       0.258  -0.851  -0.808  1.00  0.00           C  
HETATM    9  O1  UNL     1       0.733  -0.599  -1.940  1.00  0.00           O  
HETATM   10  N3  UNL     1       1.107  -0.711   0.315  1.00  0.00           N  
HETATM   11  C7  UNL     1       2.507  -0.282   0.168  1.00  0.00           C  
HETATM   12  C8  UNL     1       2.642   1.033   0.853  1.00  0.00           C  
HETATM   13  C9  UNL     1       3.987   1.659   0.833  1.00  0.00           C  
HETATM   14  C10 UNL     1       4.551   1.971  -0.471  1.00  0.00           C  
HETATM   15  O2  UNL     1       3.922   1.740  -1.529  1.00  0.00           O  
HETATM   16  O3  UNL     1       5.807   2.534  -0.563  1.00  0.00           O  
HETATM   17  C11 UNL     1       3.382  -1.329   0.694  1.00  0.00           C  
HETATM   18  O4  UNL     1       2.897  -2.376   1.165  1.00  0.00           O  
HETATM   19  O5  UNL     1       4.747  -1.169   0.672  1.00  0.00           O  
HETATM   20  H1  UNL     1      -5.206   2.080   1.099  1.00  0.00           H  
HETATM   21  H2  UNL     1      -5.773   1.018  -0.060  1.00  0.00           H  
HETATM   22  H3  UNL     1      -4.799   0.035   1.860  1.00  0.00           H  
HETATM   23  H4  UNL     1      -3.205   0.625   1.356  1.00  0.00           H  
HETATM   24  H5  UNL     1      -5.245  -1.122  -0.138  1.00  0.00           H  
HETATM   25  H6  UNL     1      -3.807  -1.775   0.634  1.00  0.00           H  
HETATM   26  H7  UNL     1      -3.571  -1.691  -1.783  1.00  0.00           H  
HETATM   27  H8  UNL     1      -4.108  -0.018  -1.899  1.00  0.00           H  
HETATM   28  H9  UNL     1      -1.901   0.743  -0.918  1.00  0.00           H  
HETATM   29  H10 UNL     1      -1.781  -0.279  -2.353  1.00  0.00           H  
HETATM   30  H11 UNL     1      -1.248  -2.223  -1.221  1.00  0.00           H  
HETATM   31  H12 UNL     1      -0.965  -2.335   1.108  1.00  0.00           H  
HETATM   32  H13 UNL     1      -1.190  -0.657   1.307  1.00  0.00           H  
HETATM   33  H14 UNL     1       0.823  -0.893   1.301  1.00  0.00           H  
HETATM   34  H15 UNL     1       2.692  -0.117  -0.933  1.00  0.00           H  
HETATM   35  H16 UNL     1       2.344   0.872   1.929  1.00  0.00           H  
HETATM   36  H17 UNL     1       1.852   1.714   0.455  1.00  0.00           H  
HETATM   37  H18 UNL     1       3.896   2.639   1.389  1.00  0.00           H  
HETATM   38  H19 UNL     1       4.705   1.076   1.481  1.00  0.00           H  
HETATM   39  H20 UNL     1       5.996   3.517  -0.538  1.00  0.00           H  
HETATM   40  H21 UNL     1       5.380  -1.882   1.014  1.00  0.00           H  
CONECT    1    2   20   21
CONECT    2    3   22   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6   28   29
CONECT    6    7    8   30
CONECT    7   31   32
CONECT    8    9    9   10
CONECT   10   11   33
CONECT   11   12   17   34
CONECT   12   13   35   36
CONECT   13   14   37   38
CONECT   14   15   15   16
CONECT   16   39
CONECT   17   18   18   19
CONECT   19   40
END

HMDB0028950
     RDKit          3D
Lysylglutamic acid
 40 39  0  0  0  0  0  0  0  0999 V2000
   -4.8943    1.4212    0.3379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1678    0.3052    0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1523   -0.9012    0.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5105   -0.7000   -1.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0857   -0.2957   -1.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1505   -1.2868   -0.6122 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4682   -1.4898    0.7656 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2579   -0.8510   -0.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7333   -0.5991   -1.9401 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1066   -0.7106    0.3147 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5072   -0.2816    0.1683 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6417    1.0328    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9872    1.6586    0.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5512    1.9707   -0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9225    1.7401   -1.5289 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8068    2.5341   -0.5632 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3822   -1.3289    0.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8966   -2.3759    1.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7469   -1.1687    0.6724 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2055    2.0804    1.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7734    1.0177   -0.0603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7987    0.0349    1.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2045    0.6245    1.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2447   -1.1220   -0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8066   -1.7752    0.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5714   -1.6915   -1.7831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1076   -0.0182   -1.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9006    0.7428   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7809   -0.2786   -2.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2481   -2.2230   -1.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9655   -2.3350    1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903   -0.6567    1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8227   -0.8930    1.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919   -0.1171   -0.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3440    0.8723    1.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8516    1.7139    0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8956    2.6393    1.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    1.0761    1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9965    3.5173   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3798   -1.8822    1.0140 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  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  6
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 16 39  1  0
 19 40  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
KE	ChEBI
L-Lys-L-glu	ChEBI
Lysyl-glutamate	ChEBI
Peptide vilon	ChEBI
Lysyl-glutamic acid	Generator
Lysylglutamate	Generator
K-e Dipeptide	HMDB
KE dipeptide	HMDB
L-Lysyl-L-glutamate	HMDB
L-Lysyl-L-glutamic acid	HMDB
Lys-glu	HMDB
Lysine glutamate dipeptide	HMDB
Lysine glutamic acid dipeptide	HMDB
Lysine-glutamate dipeptide	HMDB
Lysine-glutamic acid dipeptide	HMDB
N-L-Lysyl-L-glutamate	HMDB
N-L-Lysyl-L-glutamic acid	HMDB
N-Lysylglutamate	HMDB
N-Lysylglutamic acid	HMDB
Lysylglutamic acid	ChEBI

Chemical Formula

C₁₁H₂₁N₃O₅

Average Molecular Weight

275.305

Monoisotopic Molecular Weight

275.148120788

IUPAC Name

(2S)-2-[(2S)-2,6-diaminohexanamido]pentanedioic acid

Traditional Name

(2S)-2-[(2S)-2,6-diaminohexanamido]pentanedioic acid

CAS Registry Number

45234-02-4

SMILES

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

InChI Identifier

InChI=1S/C11H21N3O5/c12-6-2-1-3-7(13)10(17)14-8(11(18)19)4-5-9(15)16/h7-8H,1-6,12-13H2,(H,14,17)(H,15,16)(H,18,19)/t7-,8-/m0/s1

InChI Key

UGTZHPSKYRIGRJ-YUMQZZPRSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Glutamic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
N-acyl-amine
Fatty amide
Fatty acyl
Fatty acid
Dicarboxylic acid or derivatives
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxylic acid salt
Amino acid
Carboxamide group
Carboxylic acid
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary amine
Organic zwitterion
Organic salt
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:74557 )

Ontology

Not Available

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

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Lagomorph

Swine

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

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

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	-6.13	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	16.3 g/L	ALOGPS
logP	-3.9	ALOGPS
logP	-6.1	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	3.26	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	155.74 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	65.9 m³·mol⁻¹	ChemAxon
Polarizability	28.05 Å³	ChemAxon
Number of Rings	0	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]+	171.405	30932474
DeepCCS	[M-H]-	169.047	30932474
DeepCCS	[M-2H]-	201.933	30932474
DeepCCS	[M+Na]+	177.498	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lysylglutamic acid	NCCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O	3533.7	Standard polar	33892256
Lysylglutamic acid	NCCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O	2447.8	Standard non polar	33892256
Lysylglutamic acid	NCCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O	2591.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lysylglutamic acid,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2502.1	Semi standard non polar	33892256
Lysylglutamic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN	2469.3	Semi standard non polar	33892256
Lysylglutamic acid,1TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2653.6	Semi standard non polar	33892256
Lysylglutamic acid,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2584.1	Semi standard non polar	33892256
Lysylglutamic acid,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCC(=O)O)C(=O)O	2493.6	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C	2512.2	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2599.8	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #11	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2699.7	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2560.6	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2555.2	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2630.9	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2467.9	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #5	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2558.8	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2625.3	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2476.0	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2702.8	Semi standard non polar	33892256
Lysylglutamic acid,2TMS,isomer #9	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2794.2	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2570.5	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2546.4	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2679.7	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2605.9	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2544.5	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2536.1	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2790.8	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2601.0	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2577.9	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2575.7	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2843.9	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2694.7	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2818.9	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2725.3	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2648.2	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2682.2	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2739.5	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2647.2	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2664.8	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2612.3	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2641.2	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2548.3	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2463.8	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2474.2	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2680.1	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2685.6	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2679.4	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2663.3	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2525.4	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2574.3	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2791.1	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2657.0	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2559.3	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2618.3	Standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2685.0	Semi standard non polar	33892256
Lysylglutamic acid,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2645.3	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2671.2	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2684.4	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2739.6	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2698.7	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2830.0	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C	2707.2	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2776.4	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2746.2	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2626.7	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2695.3	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2685.7	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2657.7	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2754.7	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2664.9	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2975.0	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #16	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2804.5	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2799.2	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C	2748.3	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2747.2	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2779.9	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2650.0	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2663.7	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2503.9	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2593.5	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2779.6	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2652.8	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2541.9	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2622.7	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2814.4	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O	2744.8	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2774.2	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2778.9	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2608.2	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2724.5	Standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2662.6	Semi standard non polar	33892256
Lysylglutamic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2686.8	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2792.2	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2745.1	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2802.4	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2761.5	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2762.2	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #11	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2785.6	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2958.7	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)O)C(=O)O	2851.0	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2716.4	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2779.7	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2588.5	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2727.2	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2684.9	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2710.2	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2740.4	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2717.1	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2953.3	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2840.5	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2784.0	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2784.0	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2727.9	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #8	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2811.1	Standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2966.7	Semi standard non polar	33892256
Lysylglutamic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2812.8	Standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2932.7	Semi standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2842.5	Standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2775.6	Semi standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2796.5	Standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2763.7	Semi standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2815.9	Standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2968.3	Semi standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2882.1	Standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2991.8	Semi standard non polar	33892256
Lysylglutamic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2861.9	Standard non polar	33892256
Lysylglutamic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3008.6	Semi standard non polar	33892256
Lysylglutamic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2893.4	Standard non polar	33892256
Lysylglutamic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2772.8	Semi standard non polar	33892256
Lysylglutamic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN	2746.1	Semi standard non polar	33892256
Lysylglutamic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2892.4	Semi standard non polar	33892256
Lysylglutamic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O	2822.9	Semi standard non polar	33892256
Lysylglutamic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCC(=O)O)C(=O)O	2740.7	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3028.9	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3076.3	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3128.0	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3027.0	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3050.1	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3136.5	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2996.4	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3021.3	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3092.1	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2977.9	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3177.1	Semi standard non polar	33892256
Lysylglutamic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3238.9	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3277.4	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3076.0	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3368.2	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3094.7	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3250.9	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3055.9	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3444.6	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3112.1	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3297.7	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3090.7	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3508.7	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O	3181.4	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3513.8	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3180.1	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3367.0	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3116.0	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3407.0	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3127.6	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3344.6	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3096.8	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3325.1	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3092.3	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3234.5	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3034.3	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3390.2	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3157.5	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3390.4	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3132.5	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3269.7	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3080.2	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3480.2	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3156.0	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3321.7	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3115.9	Standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3355.6	Semi standard non polar	33892256
Lysylglutamic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3121.1	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3547.2	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3295.7	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3638.0	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3321.8	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3702.4	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	3319.4	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)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	3713.9	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)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	3328.6	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3551.0	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3279.9	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3573.0	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3287.5	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3624.6	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3304.1	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3822.6	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3385.7	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3684.3	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3331.3	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O)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	3683.3	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O)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	3344.4	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3603.2	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3285.0	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3462.7	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3250.0	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3663.3	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3300.9	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3498.7	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3277.8	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3722.5	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3356.4	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3743.0	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3361.0	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3566.2	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3300.2	Standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.8	Semi standard non polar	33892256
Lysylglutamic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3305.6	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3905.9	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3484.0	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3893.9	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3483.7	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3899.0	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3504.8	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3987.5	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)O)C(=O)O	3553.0	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3913.9	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3497.2	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3701.8	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3450.2	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3811.0	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3469.6	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3860.0	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3478.8	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4040.5	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3546.9	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3898.1	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3496.9	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3901.0	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.7	Standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4023.3	Semi standard non polar	33892256
Lysylglutamic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3525.3	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lysylglutamic acid 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 - Lysylglutamic acid 10V, Negative-QTOF	splash10-00di-0090000000-8871de26e0eed1c888dc	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamic acid 20V, Negative-QTOF	splash10-0ufs-0920000000-567b669ab07ec8831299	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamic acid 40V, Negative-QTOF	splash10-0udi-1900000000-f20a5038a2a02b2a9480	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamic acid 10V, Positive-QTOF	splash10-004i-0190000000-b772301c3f2b76b5897e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamic acid 20V, Positive-QTOF	splash10-0gx0-1900000000-df9ae28fde5538a72d3c	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylglutamic acid 40V, Positive-QTOF	splash10-0ab9-9300000000-169a2ac4643ad68658f8	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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
Predicted 1D NMR	¹³C 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

FDB111973

KNApSAcK ID

Not Available

Chemspider ID

5374068

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7010501

PDB ID

Not Available

ChEBI ID

74557

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Kita Y, Arakawa T, Lin TY, Timasheff SN: Contribution of the surface free energy perturbation to protein-solvent interactions. Biochemistry. 1994 Dec 20;33(50):15178-89. [PubMed:7999778 ]
Labie D, Rosa J, Belkhodja O, Bierme R: Hemoglobin toulouse alpha 2 beta 2 66 (E 10) LysGlu. Structure and consequences in molecular pathology. Biochim Biophys Acta. 1971 Apr 27;236(1):201-7. [PubMed:5577462 ]
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Showing metabocard for Lysylglutamic acid (HMDB0028950)

MOL for HMDB0028950 (Lysylglutamic acid)

3D MOL for HMDB0028950 (Lysylglutamic acid)

3D SDF for HMDB0028950 (Lysylglutamic acid)

3D-SDF for HMDB0028950 (Lysylglutamic acid)

PDB for HMDB0028950 (Lysylglutamic acid)

3D PDB for HMDB0028950 (Lysylglutamic acid)

SMILES for HMDB0028950 (Lysylglutamic acid)

INCHI for HMDB0028950 (Lysylglutamic acid)

Structure for HMDB0028950 (Lysylglutamic acid)

3D Structure for HMDB0028950 (Lysylglutamic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra