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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (6) Show 6 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:53:46 UTC

Update Date

2022-03-07 02:53:36 UTC

HMDB ID

HMDB0033106

Secondary Accession Numbers

HMDB33106

Metabolite Identification

Common Name

N6-Galacturonyl-L-lysine

Description

N6-Galacturonyl-L-lysine belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond. N6-Galacturonyl-L-lysine has been detected, but not quantified in, garden tomatoes (Solanum lycopersicum) and green vegetables. This could make N6-galacturonyl-L-lysine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on N6-Galacturonyl-L-lysine.

Structure

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

HMDB0033106
     RDKit          3D
N6-Galacturonyl-L-lysine
 44 44  0  0  0  0  0  0  0  0999 V2000
    4.8510    1.6059    0.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711    0.9681   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424   -0.1751   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495    0.4532    1.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -0.4977    1.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900   -1.2243    0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -0.3355    0.0906 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2845   -0.9928   -0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0658   -0.1255   -1.5182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7344    0.8091   -0.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8522    1.3386   -1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0493    0.9266   -2.8016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6986    2.3169   -1.1084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2945    0.3682    0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7023    0.5174    0.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -0.9853    0.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0872   -1.6702    1.4415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640   -1.8809   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945   -2.3756   -0.9141 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9312    0.5375   -1.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060   -0.0373   -2.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2908    0.7612   -1.6198 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1803    0.9871    1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    2.4985    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    1.7034   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9218   -0.9153    0.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213   -0.6788   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494    1.2721    0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0068    0.9136    1.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872    0.1270    2.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669   -1.1969    2.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056   -1.9112    1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400   -1.8557    0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475    0.4578    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -1.6167   -1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0325    1.6889   -0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4283    2.8195   -0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9496    1.1016    1.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1287   -0.0134   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2565   -0.9583    1.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0383   -1.9535    2.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -2.7072    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3177   -1.7668   -1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    1.7020   -1.4597 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  2 20  1  0
 20 21  2  0
 20 22  1  0
 18  8  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  8 35  1  0
 10 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 22 44  1  0
M  END


  Mrv0541 05061306552D          

 22 22  0  0  0  0            999 V2000
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 14  4  1  0  0  0  0
 14 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  7  1  0  0  0  0
 17  8  1  0  0  0  0
 18 11  2  0  0  0  0
 19 11  1  0  0  0  0
 20 12  2  0  0  0  0
 21 12  1  0  0  0  0
 22  9  1  0  0  0  0
 22 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033106

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCCCNC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22N2O8/c13-5(11(18)19)3-1-2-4-14-10-8(17)6(15)7(16)9(22-10)12(20)21/h5-10,14-17H,1-4,13H2,(H,18,19)(H,20,21)

> <INCHI_KEY>
CFQJLIHMLCPJQF-UHFFFAOYSA-N

> <FORMULA>
C12H22N2O8

> <MOLECULAR_WEIGHT>
322.3117

> <EXACT_MASS>
322.13761569

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
31.285806372817053

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[(5-amino-5-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.98

> <JCHEM_LOGP>
-7.106959650550642

> <ALOGPS_LOGS>
-0.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.338663048386501

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.96741377468107

> <JCHEM_PKA_STRONGEST_BASIC>
9.546075142208641

> <JCHEM_POLAR_SURFACE_AREA>
182.56999999999996

> <JCHEM_REFRACTIVITY>
70.1136

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.48e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[(5-amino-5-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033106
     RDKit          3D
N6-Galacturonyl-L-lysine
 44 44  0  0  0  0  0  0  0  0999 V2000
    4.8510    1.6059    0.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711    0.9681   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424   -0.1751   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495    0.4532    1.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -0.4977    1.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900   -1.2243    0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -0.3355    0.0906 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2845   -0.9928   -0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0658   -0.1255   -1.5182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7344    0.8091   -0.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8522    1.3386   -1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0493    0.9266   -2.8016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6986    2.3169   -1.1084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2945    0.3682    0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7023    0.5174    0.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -0.9853    0.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0872   -1.6702    1.4415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640   -1.8809   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945   -2.3756   -0.9141 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9312    0.5375   -1.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060   -0.0373   -2.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2908    0.7612   -1.6198 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1803    0.9871    1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    2.4985    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    1.7034   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9218   -0.9153    0.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213   -0.6788   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494    1.2721    0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0068    0.9136    1.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872    0.1270    2.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669   -1.1969    2.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056   -1.9112    1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400   -1.8557    0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475    0.4578    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -1.6167   -1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0325    1.6889   -0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4283    2.8195   -0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9496    1.1016    1.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1287   -0.0134   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2565   -0.9583    1.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0383   -1.9535    2.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -2.7072    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3177   -1.7668   -1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    1.7020   -1.4597 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  2 20  1  0
 20 21  2  0
 20 22  1  0
 18  8  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  8 35  1  0
 10 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 22 44  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0       8.002   6.160   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0       1.334   3.850   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2   14                                                       
CONECT    5    3   11   13                                                  
CONECT    6    7    8   15                                                  
CONECT    7    6    9   16                                                  
CONECT    8    6   10   17                                                  
CONECT    9    7   12   22                                                  
CONECT   10    8   14   22                                                  
CONECT   11    5   18   19                                                  
CONECT   12    9   20   21                                                  
CONECT   13    5                                                            
CONECT   14    4   10                                                       
CONECT   15    6                                                            
CONECT   16    7                                                            
CONECT   17    8                                                            
CONECT   18   11                                                            
CONECT   19   11                                                            
CONECT   20   12                                                            
CONECT   21   12                                                            
CONECT   22    9   10                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

COMPND    HMDB0033106
HETATM    1  N1  UNL     1       4.851   1.606   0.430  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.071   0.968  -0.585  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.242  -0.175  -0.001  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.350   0.453   1.034  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.442  -0.498   1.737  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.490  -1.224   0.813  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.362  -0.335   0.091  1.00  0.00           N  
HETATM    8  C6  UNL     1      -1.285  -0.993  -0.778  1.00  0.00           C  
HETATM    9  O1  UNL     1      -2.066  -0.125  -1.518  1.00  0.00           O  
HETATM   10  C7  UNL     1      -2.734   0.809  -0.772  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.852   1.339  -1.628  1.00  0.00           C  
HETATM   12  O2  UNL     1      -4.049   0.927  -2.802  1.00  0.00           O  
HETATM   13  O3  UNL     1      -4.699   2.317  -1.108  1.00  0.00           O  
HETATM   14  C9  UNL     1      -3.295   0.368   0.516  1.00  0.00           C  
HETATM   15  O4  UNL     1      -4.702   0.517   0.544  1.00  0.00           O  
HETATM   16  C10 UNL     1      -2.940  -0.985   0.996  1.00  0.00           C  
HETATM   17  O5  UNL     1      -4.087  -1.670   1.442  1.00  0.00           O  
HETATM   18  C11 UNL     1      -2.264  -1.881  -0.009  1.00  0.00           C  
HETATM   19  O6  UNL     1      -3.194  -2.376  -0.914  1.00  0.00           O  
HETATM   20  C12 UNL     1       4.931   0.538  -1.690  1.00  0.00           C  
HETATM   21  O7  UNL     1       4.506  -0.037  -2.725  1.00  0.00           O  
HETATM   22  O8  UNL     1       6.291   0.761  -1.620  1.00  0.00           O  
HETATM   23  H1  UNL     1       5.180   0.987   1.189  1.00  0.00           H  
HETATM   24  H2  UNL     1       4.440   2.498   0.784  1.00  0.00           H  
HETATM   25  H3  UNL     1       3.338   1.703  -0.978  1.00  0.00           H  
HETATM   26  H4  UNL     1       3.922  -0.915   0.479  1.00  0.00           H  
HETATM   27  H5  UNL     1       2.721  -0.679  -0.814  1.00  0.00           H  
HETATM   28  H6  UNL     1       1.749   1.272   0.595  1.00  0.00           H  
HETATM   29  H7  UNL     1       3.007   0.914   1.804  1.00  0.00           H  
HETATM   30  H8  UNL     1       0.787   0.127   2.406  1.00  0.00           H  
HETATM   31  H9  UNL     1       1.967  -1.197   2.417  1.00  0.00           H  
HETATM   32  H10 UNL     1      -0.106  -1.911   1.449  1.00  0.00           H  
HETATM   33  H11 UNL     1       1.040  -1.856   0.092  1.00  0.00           H  
HETATM   34  H12 UNL     1      -0.748   0.458   0.609  1.00  0.00           H  
HETATM   35  H13 UNL     1      -0.703  -1.617  -1.485  1.00  0.00           H  
HETATM   36  H14 UNL     1      -2.033   1.689  -0.664  1.00  0.00           H  
HETATM   37  H15 UNL     1      -4.428   2.819  -0.250  1.00  0.00           H  
HETATM   38  H16 UNL     1      -2.950   1.102   1.308  1.00  0.00           H  
HETATM   39  H17 UNL     1      -5.129  -0.013  -0.171  1.00  0.00           H  
HETATM   40  H18 UNL     1      -2.256  -0.958   1.896  1.00  0.00           H  
HETATM   41  H19 UNL     1      -4.038  -1.953   2.367  1.00  0.00           H  
HETATM   42  H20 UNL     1      -1.764  -2.707   0.515  1.00  0.00           H  
HETATM   43  H21 UNL     1      -3.318  -1.767  -1.693  1.00  0.00           H  
HETATM   44  H22 UNL     1       6.676   1.702  -1.460  1.00  0.00           H  
CONECT    1    2   23   24
CONECT    2    3   20   25
CONECT    3    4   26   27
CONECT    4    5   28   29
CONECT    5    6   30   31
CONECT    6    7   32   33
CONECT    7    8   34
CONECT    8    9   18   35
CONECT    9   10
CONECT   10   11   14   36
CONECT   11   12   12   13
CONECT   13   37
CONECT   14   15   16   38
CONECT   15   39
CONECT   16   17   18   40
CONECT   17   41
CONECT   18   19   42
CONECT   19   43
CONECT   20   21   21   22
CONECT   22   44
END

HMDB0033106
     RDKit          3D
N6-Galacturonyl-L-lysine
 44 44  0  0  0  0  0  0  0  0999 V2000
    4.8510    1.6059    0.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711    0.9681   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2424   -0.1751   -0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495    0.4532    1.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4417   -0.4977    1.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900   -1.2243    0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3620   -0.3355    0.0906 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2845   -0.9928   -0.7781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0658   -0.1255   -1.5182 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7344    0.8091   -0.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8522    1.3386   -1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0493    0.9266   -2.8016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6986    2.3169   -1.1084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2945    0.3682    0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7023    0.5174    0.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9400   -0.9853    0.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0872   -1.6702    1.4415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640   -1.8809   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1945   -2.3756   -0.9141 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9312    0.5375   -1.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5060   -0.0373   -2.7255 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2908    0.7612   -1.6198 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1803    0.9871    1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    2.4985    0.7842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380    1.7034   -0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9218   -0.9153    0.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7213   -0.6788   -0.8135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494    1.2721    0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0068    0.9136    1.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872    0.1270    2.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9669   -1.1969    2.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1056   -1.9112    1.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0400   -1.8557    0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7475    0.4578    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030   -1.6167   -1.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0325    1.6889   -0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4283    2.8195   -0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9496    1.1016    1.3076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1287   -0.0134   -0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2565   -0.9583    1.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0383   -1.9535    2.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641   -2.7072    0.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3177   -1.7668   -1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    1.7020   -1.4597 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
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  2 20  1  0
 20 21  2  0
 20 22  1  0
 18  8  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  8 35  1  0
 10 36  1  0
 13 37  1  0
 14 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 22 44  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
6-[(5-Amino-5-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylate	HMDB

Chemical Formula

C₁₂H₂₂N₂O₈

Average Molecular Weight

322.3117

Monoisotopic Molecular Weight

322.13761569

IUPAC Name

6-[(5-amino-5-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Traditional Name

6-[(5-amino-5-carboxypentyl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number

220718-57-0

SMILES

NC(CCCCNC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O

InChI Identifier

InChI=1S/C12H22N2O8/c13-5(11(18)19)3-1-2-4-14-10-8(17)6(15)7(16)9(22-10)12(20)21/h5-10,14-17H,1-4,13H2,(H,18,19)(H,20,21)

InChI Key

CFQJLIHMLCPJQF-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-glucuronides

Alternative Parents

Substituents

N-glucuronide
1-n-glucuronide
Hexose monosaccharide
Glycosyl compound
N-glycosyl compound
Alpha-amino acid
Alpha-amino acid or derivatives
Medium-chain fatty acid
Hydroxy fatty acid
Amino fatty acid
Beta-hydroxy acid
Heterocyclic fatty acid
Hydroxy acid
Monosaccharide
Fatty acyl
Fatty acid
Pyran
Oxane
Dicarboxylic acid or derivatives
Amino acid or derivatives
Hemiaminal
Secondary alcohol
Amino acid
Oxacycle
Carboxylic acid derivative
Carboxylic acid
Secondary aliphatic amine
Organoheterocyclic compound
Secondary amine
Polyol
Organic nitrogen compound
Carbonyl group
Alcohol
Organopnictogen compound
Amine
Organic oxide
Primary amine
Hydrocarbon derivative
Organonitrogen compound
Primary aliphatic amine
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033106)
Cytoplasm (HMDB: HMDB0033106)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033106)

Source

Exogenous

Exogenous (HMDB: HMDB0033106)

Food

Food (HMDB: HMDB0033106)

Vegetable

Fruit vegetable

Garden tomato (FooDB: FOOD00171)

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Plant

Plant (HMDB: HMDB0033106)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0033106)

Physical Properties

State

Not Available

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	34.8 g/L	ALOGPS
logP	-3	ALOGPS
logP	-7.1	ChemAxon
logS	-0.97	ALOGPS
pKa (Strongest Acidic)	1.97	ChemAxon
pKa (Strongest Basic)	9.55	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	182.57 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	70.11 m³·mol⁻¹	ChemAxon
Polarizability	31.29 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	174.255	31661259
DarkChem	[M-H]-	170.383	31661259
DeepCCS	[M+H]+	167.285	30932474
DeepCCS	[M-H]-	164.928	30932474
DeepCCS	[M-2H]-	197.813	30932474
DeepCCS	[M+Na]+	173.379	30932474
AllCCS	[M+H]+	171.0	32859911
AllCCS	[M+H-H2O]+	168.2	32859911
AllCCS	[M+NH4]+	173.6	32859911
AllCCS	[M+Na]+	174.4	32859911
AllCCS	[M-H]-	172.8	32859911
AllCCS	[M+Na-2H]-	172.6	32859911
AllCCS	[M+HCOO]-	172.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N6-Galacturonyl-L-lysine	NC(CCCCNC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	3773.3	Standard polar	33892256
N6-Galacturonyl-L-lysine	NC(CCCCNC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	2526.4	Standard non polar	33892256
N6-Galacturonyl-L-lysine	NC(CCCCNC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O	2911.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N6-Galacturonyl-L-lysine,1TMS,isomer #1	C[Si](C)(C)OC1C(C(=O)O)OC(NCCCCC(N)C(=O)O)C(O)C1O	2875.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TMS,isomer #2	C[Si](C)(C)OC1C(O)C(NCCCCC(N)C(=O)O)OC(C(=O)O)C1O	2899.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TMS,isomer #3	C[Si](C)(C)OC1C(NCCCCC(N)C(=O)O)OC(C(=O)O)C(O)C1O	2903.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O)C(O)C1O	2918.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O)C(O)C1O	2909.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TMS,isomer #6	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O	3037.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TMS,isomer #7	C[Si](C)(C)N(CCCCC(N)C(=O)O)C1OC(C(=O)O)C(O)C(O)C1O	2947.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O)C(O)C1O[Si](C)(C)C	2836.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #10	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O)C(=O)O	2986.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #11	C[Si](C)(C)OC1C(O)C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C1O	2912.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #12	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C	2854.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #13	C[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O[Si](C)(C)C)C(O)C1O	2852.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #14	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C)C(=O)O	2993.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #15	C[Si](C)(C)OC1C(O)C(O)C(C(=O)O)OC1N(CCCCC(N)C(=O)O)[Si](C)(C)C	2919.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #16	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O	2825.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #17	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O)C(=O)O	2992.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #18	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O)C(O)C1O	2887.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #19	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O[Si](C)(C)C	2982.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O	2844.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #20	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O)C(O)C1O)[Si](C)(C)C	2877.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #21	C[Si](C)(C)N(C(CCCCNC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O)[Si](C)(C)C	3181.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #22	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O)[Si](C)(C)C)C(=O)O	2996.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #3	C[Si](C)(C)OC1C(NCCCCC(N)C(=O)O)OC(C(=O)O)C(O[Si](C)(C)C)C1O	2859.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #4	C[Si](C)(C)OC1C(C(=O)O)OC(NCCCCC(N)C(=O)O)C(O)C1O[Si](C)(C)C	2889.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #5	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O)C(=O)O	2977.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #6	C[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O)C1O	2895.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #7	C[Si](C)(C)OC1C(NCCCCC(N)C(=O)O)OC(C(=O)O)C(O)C1O[Si](C)(C)C	2870.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O	2864.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TMS,isomer #9	C[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O)C(O[Si](C)(C)C)C1O	2864.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2749.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #10	C[Si](C)(C)OC1C(NCCCCC(N)C(=O)O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2827.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #11	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)O	2944.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #12	C[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2892.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #13	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)O	2977.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #14	C[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2888.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #15	C[Si](C)(C)OC1C(C(=O)O)OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3126.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #16	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O)[Si](C)(C)C)C(=O)O	2984.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #17	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2823.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #18	C[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2795.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #19	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)O	2956.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2769.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #20	C[Si](C)(C)OC1C(O)C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C1O[Si](C)(C)C	2898.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #21	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2789.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #22	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O)C(=O)O[Si](C)(C)C	2912.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #23	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O)[Si](C)(C)C	2854.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #24	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)O	2928.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #25	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2838.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #26	C[Si](C)(C)OC1C(O)C(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OC(C(=O)O)C1O	3147.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #27	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)C(=O)O	2990.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #28	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2770.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #29	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2902.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2801.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #30	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C)[Si](C)(C)C	2861.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #31	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)O	2923.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #32	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2852.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #33	C[Si](C)(C)OC1C(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OC(C(=O)O)C(O)C1O	3134.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #34	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2994.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #35	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O)C(=O)O[Si](C)(C)C	2865.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #36	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O)[Si](C)(C)C	2804.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #37	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O	3120.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #38	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O)[Si](C)(C)C)C(=O)O	2940.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #39	C[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O)C(O)C1O)N([Si](C)(C)C)[Si](C)(C)C	3112.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #4	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)O	2913.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #40	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2931.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #41	C[Si](C)(C)N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C1OC(C(=O)O)C(O)C(O)C1O	3163.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2838.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2830.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2814.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #8	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O)C(=O)O[Si](C)(C)C	2893.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TMS,isomer #9	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O)[Si](C)(C)C	2858.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2752.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2997.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #11	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)[Si](C)(C)C)C(=O)O	2893.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #12	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2782.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #13	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)O[Si](C)(C)C	2882.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C	2855.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #15	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2874.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #16	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C	2854.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O)N([Si](C)(C)C)[Si](C)(C)C	3021.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #18	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2911.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #19	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)O	2930.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2738.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #20	C[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2886.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #21	C[Si](C)(C)OC1C(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O	3033.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #22	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2970.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #23	C[Si](C)(C)OC1C(C(=O)O)OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3070.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #24	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)C(=O)O	2963.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #25	C[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3111.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #26	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2749.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #27	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2871.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #28	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C	2855.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #29	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)O	2876.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #3	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C(=O)O[Si](C)(C)C	2809.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #30	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2843.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #31	C[Si](C)(C)OC1C(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C	3050.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #32	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2974.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #33	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(=O)O[Si](C)(C)C	2840.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #34	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)[Si](C)(C)C	2801.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #35	C[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O)N([Si](C)(C)C)[Si](C)(C)C	3049.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #36	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2903.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #37	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3028.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #38	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)C(=O)O	2895.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #39	C[Si](C)(C)OC1C(O)C(C(=O)O)OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C1O	3101.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)[Si](C)(C)C	2791.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #40	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2824.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #41	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)[Si](C)(C)C	2800.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #42	C[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3018.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #43	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2913.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #44	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3003.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #45	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2904.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #46	C[Si](C)(C)OC1C(O)C(O)C(C(=O)O)OC1N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3113.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #47	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O	2997.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #48	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2846.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #49	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O	3074.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2761.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #50	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3070.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #6	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)O	2860.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2835.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #8	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)O	2881.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TMS,isomer #9	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2831.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2702.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2949.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #11	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2918.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #12	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2983.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #13	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)C(=O)O	2917.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #14	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3028.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #15	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2843.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #16	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C	2858.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #17	C[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)N([Si](C)(C)C)[Si](C)(C)C	3008.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #18	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2919.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #19	C[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2975.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #2	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(=O)O[Si](C)(C)C	2824.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #20	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2924.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #21	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3022.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #22	C[Si](C)(C)OC1C(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3022.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #23	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2984.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #24	C[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3081.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #25	C[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3078.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #26	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2810.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #27	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C	2818.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #28	C[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2987.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #29	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2917.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C	2810.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #30	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2975.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #31	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2928.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #32	C[Si](C)(C)OC1C(O)C(C(=O)O)OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C1O[Si](C)(C)C	3079.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #33	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2984.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #34	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2880.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #35	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3033.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #36	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3034.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #37	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2941.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #38	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2869.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #39	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3025.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #4	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2807.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #40	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3030.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #41	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O	3001.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C	2820.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #6	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2935.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #7	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2856.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #8	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)O	2842.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TMS,isomer #9	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2850.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #1	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2777.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #1	C[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2951.6	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3058.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #10	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3035.3	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #11	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3047.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #11	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3002.4	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2945.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3000.1	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #13	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2925.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #13	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2919.6	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3062.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #14	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2994.0	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3073.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #15	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3021.3	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #16	C[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3101.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #16	C[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2972.6	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #17	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2957.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #17	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3032.5	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #18	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2901.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #18	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2943.1	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #19	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3064.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #19	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2986.0	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C	2808.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C	2888.5	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #20	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3062.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #20	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2999.0	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #21	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3047.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #21	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3020.0	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3025.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #22	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3033.5	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2969.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3003.2	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #4	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2888.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #4	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2946.5	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2944.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3065.2	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #6	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2899.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #6	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2972.5	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3018.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3047.1	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2946.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #8	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3002.4	Standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #9	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2929.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,6TMS,isomer #9	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2918.6	Standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2915.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3055.2	Standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #2	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2885.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #2	C[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2985.5	Standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3061.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #3	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3052.7	Standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3071.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #4	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3076.0	Standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3070.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #5	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3027.1	Standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3086.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3022.3	Standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3071.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,7TMS,isomer #7	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3048.1	Standard non polar	33892256
N6-Galacturonyl-L-lysine,8TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3062.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,8TMS,isomer #1	C[Si](C)(C)OC(=O)C1OC(N(CCCCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3089.6	Standard non polar	33892256
N6-Galacturonyl-L-lysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(NCCCCC(N)C(=O)O)C(O)C1O	3156.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(O)C(NCCCCC(N)C(=O)O)OC(C(=O)O)C1O	3180.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(NCCCCC(N)C(=O)O)OC(C(=O)O)C(O)C1O	3175.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O)C(O)C1O	3207.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O)C(O)C1O	3181.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O	3317.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCCCC(N)C(=O)O)C1OC(C(=O)O)C(O)C(O)C1O	3191.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3337.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)O	3483.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(O)C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C1O	3376.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3329.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3357.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)O	3468.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(C(=O)O)OC1N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3372.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3331.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)O	3482.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3367.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O[Si](C)(C)C(C)(C)C	3459.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3323.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O)C(O)C1O)[Si](C)(C)C(C)(C)C	3343.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(CCCCNC1OC(C(=O)O)C(O)C(O)C1O)C(=O)O)[Si](C)(C)C(C)(C)C	3598.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O)[Si](C)(C)C(C)(C)C)C(=O)O	3481.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(NCCCCC(N)C(=O)O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3337.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(NCCCCC(N)C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3362.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)O	3464.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O)C1O	3361.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(NCCCCC(N)C(=O)O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3358.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3359.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3375.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3454.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(NCCCCC(N)C(=O)O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3496.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)O	3594.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3551.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)O	3620.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3549.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O	3734.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)[Si](C)(C)C(C)(C)C)C(=O)O	3623.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3495.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3508.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)O	3604.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3460.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3549.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3492.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)O[Si](C)(C)C(C)(C)C	3596.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C	3539.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)O	3623.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3556.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(O)C(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C1O	3751.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)C(=O)O	3641.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3469.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3559.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3507.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3515.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)O	3586.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3540.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O	3724.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3625.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(=O)O[Si](C)(C)C(C)(C)C	3547.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)[Si](C)(C)C(C)(C)C	3514.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3761.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)[Si](C)(C)C(C)(C)C)C(=O)O	3613.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O)C(O)C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3762.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)O	3590.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3592.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)N(CCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1OC(C(=O)O)C(O)C(O)C1O	3748.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3530.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3496.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3475.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)O[Si](C)(C)C(C)(C)C	3560.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)[Si](C)(C)C(C)(C)C	3515.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3633.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3897.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)[Si](C)(C)C(C)(C)C)C(=O)O	3759.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3614.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)O[Si](C)(C)C(C)(C)C	3705.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C	3713.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3675.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3713.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3888.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3735.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)O	3720.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3593.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3750.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O	3888.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3810.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3922.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)C(=O)O	3805.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(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)C(O)C1O	3939.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3628.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3695.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3714.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)O	3722.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(=O)O[Si](C)(C)C(C)(C)C	3653.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3742.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C	3904.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3810.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)O[Si](C)(C)C(C)(C)C	3698.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C	3704.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3908.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3773.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3925.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)C(=O)O	3791.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1C(O)C(C(=O)O)OC(N(CCCCC(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)C1O	3963.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)[Si](C)(C)C(C)(C)C	3669.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3657.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3678.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3871.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3745.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3886.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3765.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(C(=O)O)OC1N(CCCCC(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	3944.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(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)C(O)C(O)C1O	3895.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3717.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(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)C(O)C(O)C1O	3943.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(N)C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3615.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3936.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)O	3682.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3729.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)O	3733.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3730.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3739.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4023.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3935.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4078.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)C(=O)O	3936.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(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)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4129.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3782.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3897.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4063.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3916.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4008.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(=O)O[Si](C)(C)C(C)(C)C	3809.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3919.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4104.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4059.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3989.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(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)C(O[Si](C)(C)C(C)(C)C)C1O	4148.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(N(CCCCC(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)C(O)C1O[Si](C)(C)C(C)(C)C	4150.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3779.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3888.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCNC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4027.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3916.8	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C	3879.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4041.1	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3941.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(O)C(C(=O)O)OC(N(CCCCC(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)C1O[Si](C)(C)C(C)(C)C	4156.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(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)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4049.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3902.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4125.4	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(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)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4147.7	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(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)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3987.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3873.0	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN(C1OC(C(=O)O)C(O)C(O)C1O[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	4105.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3757.9	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(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)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4125.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(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)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4107.5	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3886.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C1OC(NCCCCC(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)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4011.2	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCCCN(C1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3866.6	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCCCNC1OC(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(=O)O	3776.3	Semi standard non polar	33892256
N6-Galacturonyl-L-lysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C1OC(N(CCCCC(N)C(=O)O)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3922.3	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N6-Galacturonyl-L-lysine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-9452000000-254459e9ae296bd7dbf3	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N6-Galacturonyl-L-lysine GC-MS (5 TMS) - 70eV, Positive	splash10-014i-2312349000-ceca9a3334d52235a74c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N6-Galacturonyl-L-lysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N6-Galacturonyl-L-lysine 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 - N6-Galacturonyl-L-lysine 10V, Positive-QTOF	splash10-0adi-1598000000-d343ef8c001f53e1da4b	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 20V, Positive-QTOF	splash10-0ugj-4950000000-4f18780a8d16c6f45a5e	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 40V, Positive-QTOF	splash10-001j-9700000000-a3f0ed3f5ceb3cd83368	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 10V, Negative-QTOF	splash10-00dr-0955000000-de54ba39a62b362e4a1f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 20V, Negative-QTOF	splash10-0a4j-1941000000-3b8f42a16a097ecbf4dd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 40V, Negative-QTOF	splash10-0002-6900000000-6fc59adcb6550ef9d759	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 10V, Positive-QTOF	splash10-00di-0109000000-4c8334bad82e542771aa	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 20V, Positive-QTOF	splash10-0ae9-3759000000-e2082908a5dd0846a6ea	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 40V, Positive-QTOF	splash10-001i-9200000000-3ae0d73846bb72fc0cb7	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 10V, Negative-QTOF	splash10-00di-0009000000-754a263ed888ca5cc8b3	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 20V, Negative-QTOF	splash10-0fk9-3589000000-f56ee9f3cfa41df9ba8c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N6-Galacturonyl-L-lysine 40V, Negative-QTOF	splash10-0006-9310000000-94e1f17eeb9c05c63bb4	2021-09-22	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

Cytoplasm
Extracellular

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

FDB011102

KNApSAcK ID

Not Available

Chemspider ID

35013549

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751374

PDB ID

Not Available

ChEBI ID

175121

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

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 2B4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:: UGT2B4
Uniprot ID:: P06133
Molecular weight:: 60512.035

Enzyme Details

2. UDP-glucuronosyltransferase 1-4

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:: UGT1A4
Uniprot ID:: P22310
Molecular weight:: 60024.535

Enzyme Details

3. UDP-glucuronosyltransferase 2B7

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:: UGT2B7
Uniprot ID:: P16662
Molecular weight:: 60720.15

Enzyme Details

4. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Enzyme Details

5. UDP-glucuronosyltransferase 1-9

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:: UGT1A9
Uniprot ID:: O60656
Molecular weight:: 59940.495

Enzyme Details

6. UDP-glucuronosyltransferase 1-6

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:: UGT1A6
Uniprot ID:: P19224
Molecular weight:: 60750.215

Showing metabocard for N6-Galacturonyl-L-lysine (HMDB0033106)

MOL for HMDB0033106 (N6-Galacturonyl-L-lysine)

3D MOL for HMDB0033106 (N6-Galacturonyl-L-lysine)

3D SDF for HMDB0033106 (N6-Galacturonyl-L-lysine)

3D-SDF for HMDB0033106 (N6-Galacturonyl-L-lysine)

PDB for HMDB0033106 (N6-Galacturonyl-L-lysine)

3D PDB for HMDB0033106 (N6-Galacturonyl-L-lysine)

SMILES for HMDB0033106 (N6-Galacturonyl-L-lysine)

INCHI for HMDB0033106 (N6-Galacturonyl-L-lysine)

Structure for HMDB0033106 (N6-Galacturonyl-L-lysine)

3D Structure for HMDB0033106 (N6-Galacturonyl-L-lysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes