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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:06:06 UTC

Update Date

2022-03-07 02:55:32 UTC

HMDB ID

HMDB0037843

Secondary Accession Numbers

HMDB37843

Metabolite Identification

Common Name

N-(1-Deoxy-1-fructosyl)threonine

Description

N-(1-Deoxy-1-fructosyl)threonine belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Based on a literature review very few articles have been published on N-(1-Deoxy-1-fructosyl)threonine.

Structure

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

HMDB0037843
     RDKit          3D
N-(1-Deoxy-1-fructosyl)threonine
 38 38  0  0  0  0  0  0  0  0999 V2000
    3.3518   -1.1271    0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4033    0.1053   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578    1.0503    0.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632    0.8243   -0.4577 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2046    0.1993   -1.2101 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859   -0.8658   -0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564   -0.3964    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    0.0736    1.3027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4498    0.5800   -0.4364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -0.0496   -0.7427 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7516    0.8654   -1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906    1.7446   -0.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8961   -0.8381    0.5454 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9567   -1.7196    0.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565   -1.5395    0.5843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2320   -2.0513    1.8313 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    2.0558   -1.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538    2.2129   -2.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5936    2.8737   -0.6575 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9609   -2.0288    0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541   -1.4394    0.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959   -1.0032    1.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0189   -0.0697   -1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448    1.1860    0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141    1.2628    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    0.5151   -2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -1.2482   -1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808   -1.7306   -0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038    0.9009    1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466   -0.7998   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6617    0.2977   -1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4147    1.4412   -2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9534    1.6124    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836   -0.1328    1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7653   -1.2066    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -2.3215   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -2.4505    2.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482    3.2172    0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  2  0
 17 19  1  0
 15  7  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  4 25  1  1
  5 26  1  0
  6 27  1  0
  6 28  1  0
  8 29  1  0
 10 30  1  6
 11 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  1
 14 35  1  0
 15 36  1  6
 16 37  1  0
 19 38  1  0
M  END

  Mrv0541 01231308422D          

 19 19  0  0  0  0            999 V2000
   -6.2020    0.4447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8694   -0.0403    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.6145   -0.8248    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7895   -0.8248    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5346   -0.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7500    0.2147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3046   -1.4923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0994   -1.4923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6541    0.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2672   -0.3374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254    0.4149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254   -0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4399   -0.8226    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4399   -1.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1543   -2.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7254   -2.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1543   -0.4101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9512   -0.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0109   -0.8226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  1  0  0  0
  3  8  1  6  0  0  0
  2  9  1  1  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 13 17  1  1  0  0  0
  5 18  1  0  0  0  0
 18 17  1  0  0  0  0
 12 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037843

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H19NO8/c1-4(13)6(9(16)17)11-3-10(18)8(15)7(14)5(2-12)19-10/h4-8,11-15,18H,2-3H2,1H3,(H,16,17)/t4?,5-,6+,7-,8+,10?/m1/s1

> <INCHI_KEY>
JUBGLICOZRKBCO-KNWYLTHMSA-N

> <FORMULA>
C10H19NO8

> <MOLECULAR_WEIGHT>
281.2598

> <EXACT_MASS>
281.111066589

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
25.754821914341637

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

> <ALOGPS_LOGP>
-2.66

> <JCHEM_LOGP>
-5.403536004592391

> <ALOGPS_LOGS>
-0.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
10.667919232116164

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.773693430091643

> <JCHEM_PKA_STRONGEST_BASIC>
6.847751859581375

> <JCHEM_POLAR_SURFACE_AREA>
159.71

> <JCHEM_REFRACTIVITY>
59.3339

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.52e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037843
     RDKit          3D
N-(1-Deoxy-1-fructosyl)threonine
 38 38  0  0  0  0  0  0  0  0999 V2000
    3.3518   -1.1271    0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4033    0.1053   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578    1.0503    0.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632    0.8243   -0.4577 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2046    0.1993   -1.2101 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859   -0.8658   -0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564   -0.3964    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    0.0736    1.3027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4498    0.5800   -0.4364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -0.0496   -0.7427 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7516    0.8654   -1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906    1.7446   -0.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8961   -0.8381    0.5454 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9567   -1.7196    0.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565   -1.5395    0.5843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2320   -2.0513    1.8313 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    2.0558   -1.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538    2.2129   -2.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5936    2.8737   -0.6575 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9609   -2.0288    0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541   -1.4394    0.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959   -1.0032    1.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0189   -0.0697   -1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448    1.1860    0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141    1.2628    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    0.5151   -2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -1.2482   -1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808   -1.7306   -0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038    0.9009    1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466   -0.7998   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6617    0.2977   -1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4147    1.4412   -2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9534    1.6124    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836   -0.1328    1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7653   -1.2066    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -2.3215   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -2.4505    2.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482    3.2172    0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  2  0
 17 19  1  0
 15  7  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  4 25  1  1
  5 26  1  0
  6 27  1  0
  6 28  1  0
  8 29  1  0
 10 30  1  6
 11 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  1
 14 35  1  0
 15 36  1  6
 16 37  1  0
 19 38  1  0
M  END

HEADER    PROTEIN                                 23-JAN-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-JAN-13         0                                  
HETATM    1  O   UNK     0     -11.577   0.830   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -12.823  -0.075   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.347  -1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.807  -1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.331  -0.075   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -8.867   0.401   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -9.902  -2.786   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0     -13.252  -2.786   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0     -14.288   0.401   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0     -15.432  -0.630   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -5.087   0.774   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -5.087  -0.766   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.421  -1.536   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.421  -3.076   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -7.755  -3.846   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -5.087  -3.846   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      -7.755  -0.766   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -9.242  -1.164   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.754  -1.536   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    1    6   18                                             
CONECT    6    5                                                            
CONECT    7    4                                                            
CONECT    8    3                                                            
CONECT    9    2   10                                                       
CONECT   10    9                                                            
CONECT   11   12                                                            
CONECT   12   11   13   19                                                  
CONECT   13   12   14   17                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   13   18                                                       
CONECT   18    5   17                                                       
CONECT   19   12                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

COMPND    HMDB0037843
HETATM    1  C1  UNL     1       3.352  -1.127   0.732  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.403   0.105  -0.078  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.158   1.050   0.695  1.00  0.00           O  
HETATM    4  C3  UNL     1       2.163   0.824  -0.458  1.00  0.00           C  
HETATM    5  N1  UNL     1       1.205   0.199  -1.210  1.00  0.00           N  
HETATM    6  C4  UNL     1       0.386  -0.866  -0.842  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.656  -0.396   0.167  1.00  0.00           C  
HETATM    8  O2  UNL     1      -0.022   0.074   1.303  1.00  0.00           O  
HETATM    9  O3  UNL     1      -1.450   0.580  -0.436  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.652  -0.050  -0.743  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.752   0.865  -1.126  1.00  0.00           C  
HETATM   12  O4  UNL     1      -3.991   1.745  -0.045  1.00  0.00           O  
HETATM   13  C8  UNL     1      -2.896  -0.838   0.545  1.00  0.00           C  
HETATM   14  O5  UNL     1      -3.957  -1.720   0.438  1.00  0.00           O  
HETATM   15  C9  UNL     1      -1.557  -1.540   0.584  1.00  0.00           C  
HETATM   16  O6  UNL     1      -1.232  -2.051   1.831  1.00  0.00           O  
HETATM   17  C10 UNL     1       2.654   2.056  -1.249  1.00  0.00           C  
HETATM   18  O7  UNL     1       2.154   2.213  -2.375  1.00  0.00           O  
HETATM   19  O8  UNL     1       3.594   2.874  -0.658  1.00  0.00           O  
HETATM   20  H1  UNL     1       2.961  -2.029   0.255  1.00  0.00           H  
HETATM   21  H2  UNL     1       4.454  -1.439   0.960  1.00  0.00           H  
HETATM   22  H3  UNL     1       2.896  -1.003   1.748  1.00  0.00           H  
HETATM   23  H4  UNL     1       4.019  -0.070  -1.018  1.00  0.00           H  
HETATM   24  H5  UNL     1       5.045   1.186   0.280  1.00  0.00           H  
HETATM   25  H6  UNL     1       1.714   1.263   0.480  1.00  0.00           H  
HETATM   26  H7  UNL     1       1.107   0.515  -2.215  1.00  0.00           H  
HETATM   27  H8  UNL     1      -0.223  -1.248  -1.735  1.00  0.00           H  
HETATM   28  H9  UNL     1       0.881  -1.731  -0.371  1.00  0.00           H  
HETATM   29  H10 UNL     1      -0.404   0.901   1.670  1.00  0.00           H  
HETATM   30  H11 UNL     1      -2.447  -0.800  -1.562  1.00  0.00           H  
HETATM   31  H12 UNL     1      -4.662   0.298  -1.394  1.00  0.00           H  
HETATM   32  H13 UNL     1      -3.415   1.441  -2.018  1.00  0.00           H  
HETATM   33  H14 UNL     1      -4.953   1.612   0.193  1.00  0.00           H  
HETATM   34  H15 UNL     1      -2.984  -0.133   1.363  1.00  0.00           H  
HETATM   35  H16 UNL     1      -4.765  -1.207   0.705  1.00  0.00           H  
HETATM   36  H17 UNL     1      -1.492  -2.322  -0.208  1.00  0.00           H  
HETATM   37  H18 UNL     1      -2.085  -2.450   2.183  1.00  0.00           H  
HETATM   38  H19 UNL     1       3.448   3.217   0.269  1.00  0.00           H  
CONECT    1    2   20   21   22
CONECT    2    3    4   23
CONECT    3   24
CONECT    4    5   17   25
CONECT    5    6   26
CONECT    6    7   27   28
CONECT    7    8    9   15
CONECT    8   29
CONECT    9   10
CONECT   10   11   13   30
CONECT   11   12   31   32
CONECT   12   33
CONECT   13   14   15   34
CONECT   14   35
CONECT   15   16   36
CONECT   16   37
CONECT   17   18   18   19
CONECT   19   38
END

HMDB0037843
     RDKit          3D
N-(1-Deoxy-1-fructosyl)threonine
 38 38  0  0  0  0  0  0  0  0999 V2000
    3.3518   -1.1271    0.7318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4033    0.1053   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1578    1.0503    0.6945 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1632    0.8243   -0.4577 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2046    0.1993   -1.2101 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3859   -0.8658   -0.8416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6564   -0.3964    0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    0.0736    1.3027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4498    0.5800   -0.4364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521   -0.0496   -0.7427 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7516    0.8654   -1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9906    1.7446   -0.0446 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8961   -0.8381    0.5454 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9567   -1.7196    0.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565   -1.5395    0.5843 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2320   -2.0513    1.8313 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543    2.0558   -1.2488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1538    2.2129   -2.3754 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5936    2.8737   -0.6575 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9609   -2.0288    0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4541   -1.4394    0.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959   -1.0032    1.7482 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0189   -0.0697   -1.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448    1.1860    0.2796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141    1.2628    0.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1074    0.5151   -2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2225   -1.2482   -1.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808   -1.7306   -0.3710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038    0.9009    1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466   -0.7998   -1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6617    0.2977   -1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4147    1.4412   -2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9534    1.6124    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9836   -0.1328    1.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7653   -1.2066    0.7045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921   -2.3215   -0.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -2.4505    2.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482    3.2172    0.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  1  0
 17 18  2  0
 17 19  1  0
 15  7  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  3 24  1  0
  4 25  1  1
  5 26  1  0
  6 27  1  0
  6 28  1  0
  8 29  1  0
 10 30  1  6
 11 31  1  0
 11 32  1  0
 12 33  1  0
 13 34  1  1
 14 35  1  0
 15 36  1  6
 16 37  1  0
 19 38  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(R)-(+)-4-Isopropyl-1-methylcyclohexene	HMDB
(R)-4-(Isopropyl)-1-methylcyclohexene	HMDB
1-Methyl-4-(1-methylethyl)-(R)-cyclohexene	HMDB
1-[(1-Carboxy-2-hydroxypropyl)amino]-1-deoxyfructose, 9ci	HMDB
Carvomenthene	HMDB
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoate	Generator

Chemical Formula

C₁₀H₁₉NO₈

Average Molecular Weight

281.2598

Monoisotopic Molecular Weight

281.111066589

IUPAC Name

(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

Traditional Name

(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)butanoic acid

CAS Registry Number

70954-04-0

SMILES

CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O

InChI Identifier

InChI=1S/C10H19NO8/c1-4(13)6(9(16)17)11-3-10(18)8(15)7(14)5(2-12)19-10/h4-8,11-15,18H,2-3H2,1H3,(H,16,17)/t4?,5-,6+,7-,8+,10?/m1/s1

InChI Key

JUBGLICOZRKBCO-KNWYLTHMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

C-glycosyl compound
Alpha-amino acid
Alpha-amino acid or derivatives
Pentose monosaccharide
L-alpha-amino acid
Hydroxy fatty acid
Beta-hydroxy acid
Heterocyclic fatty acid
Short-chain hydroxy acid
Monosaccharide
Hydroxy acid
Fatty acyl
Fatty acid
Tetrahydrofuran
Secondary alcohol
Amino acid
Amino acid or derivatives
Hemiacetal
Oxacycle
Carboxylic acid derivative
Carboxylic acid
Secondary aliphatic amine
Organoheterocyclic compound
Secondary amine
Polyol
Monocarboxylic acid or derivatives
Carbonyl group
Organic nitrogen compound
Organopnictogen compound
Amine
Organic oxide
Primary alcohol
Hydrocarbon derivative
Alcohol
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0037843)

Food

Food (HMDB: HMDB0037843)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037843)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	108 °C	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	252 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-5.4	ChemAxon
logS	-0.05	ALOGPS
pKa (Strongest Acidic)	2.77	ChemAxon
pKa (Strongest Basic)	6.85	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	159.71 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	59.33 m³·mol⁻¹	ChemAxon
Polarizability	25.75 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]+	165.267	31661259
DarkChem	[M-H]-	160.859	31661259
DeepCCS	[M+H]+	162.707	30932474
DeepCCS	[M-H]-	160.341	30932474
DeepCCS	[M-2H]-	194.877	30932474
DeepCCS	[M+Na]+	171.043	30932474
AllCCS	[M+H]+	162.7	32859911
AllCCS	[M+H-H2O]+	159.5	32859911
AllCCS	[M+NH4]+	165.7	32859911
AllCCS	[M+Na]+	166.5	32859911
AllCCS	[M-H]-	161.0	32859911
AllCCS	[M+Na-2H]-	161.1	32859911
AllCCS	[M+HCOO]-	161.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-(1-Deoxy-1-fructosyl)threonine	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O	3905.4	Standard polar	33892256
N-(1-Deoxy-1-fructosyl)threonine	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O	2232.1	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O	2364.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-(1-Deoxy-1-fructosyl)threonine,1TMS,isomer #1	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2388.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TMS,isomer #2	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2440.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TMS,isomer #3	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2389.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TMS,isomer #4	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2401.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TMS,isomer #5	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2429.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TMS,isomer #6	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2337.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TMS,isomer #7	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2415.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #1	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2405.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #10	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2351.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #11	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2442.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #12	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2359.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #13	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2392.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #14	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2323.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #15	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2414.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #16	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2380.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #17	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2330.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #18	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2418.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #19	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2357.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #2	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2380.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #20	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2437.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #21	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2389.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #3	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2378.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #4	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2399.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #5	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2327.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #6	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2450.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #7	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2391.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #8	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2394.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TMS,isomer #9	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2402.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #1	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2363.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #10	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2355.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #11	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2312.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #12	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2453.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #13	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2318.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #14	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2465.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #15	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2407.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #16	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2366.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #17	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2369.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #18	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2321.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #19	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2427.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #2	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2391.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #20	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2361.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #21	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2340.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #22	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2422.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #23	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2330.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #24	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2428.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #25	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2398.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #26	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2353.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #27	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2302.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #28	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2401.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #29	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2335.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #3	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2375.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #30	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2426.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #31	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2383.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #32	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2327.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #33	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2406.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #34	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2383.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #35	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2394.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #4	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2324.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #5	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2469.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #6	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2337.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #7	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2367.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #8	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2293.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TMS,isomer #9	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2442.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #1	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	2361.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #10	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2428.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #11	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2348.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #12	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2297.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #13	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2415.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #14	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2326.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #15	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2446.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #16	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2399.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #17	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2314.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #18	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2422.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #19	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2411.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #2	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	2359.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #20	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2425.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #21	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2335.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #22	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2319.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #23	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2403.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #24	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2325.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #25	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2410.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #26	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2383.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #27	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2319.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #28	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2410.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #29	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2377.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #3	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	2311.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #30	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2381.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #31	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2318.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #32	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2386.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #33	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2362.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #34	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2382.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #35	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2370.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #4	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2444.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #5	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2360.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #6	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2334.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #7	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2437.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #8	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2328.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TMS,isomer #9	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2445.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #1	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	2369.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #10	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2436.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #11	CC(O[Si](C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2340.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #12	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2422.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #13	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2401.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #14	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2431.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #15	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2411.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #16	CC(O)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2325.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #17	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2417.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #18	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2378.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #19	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2387.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #2	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	2333.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #20	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2399.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #21	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2373.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #3	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2433.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #4	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2331.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #5	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2447.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #6	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C	2424.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #7	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2336.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #8	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2450.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TMS,isomer #9	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2425.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,6TMS,isomer #1	CC(O[Si](C)(C)C)[C@H](NCC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2356.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,6TMS,isomer #2	CC(O[Si](C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2475.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,6TMS,isomer #3	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O)[Si](C)(C)C	2446.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,6TMS,isomer #4	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2449.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,6TMS,isomer #5	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2467.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,6TMS,isomer #6	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2435.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,6TMS,isomer #7	CC(O)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2428.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,7TMS,isomer #1	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2499.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,7TMS,isomer #1	CC(O[Si](C)(C)C)[C@@H](C(=O)O[Si](C)(C)C)N(CC1(O[Si](C)(C)C)O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)[Si](C)(C)C	2503.9	Standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2634.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TBDMS,isomer #2	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2680.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TBDMS,isomer #3	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2644.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TBDMS,isomer #4	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	2640.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TBDMS,isomer #5	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	2653.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TBDMS,isomer #6	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	2588.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,1TBDMS,isomer #7	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2656.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O	2866.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #10	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	2829.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #11	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2912.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #12	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	2801.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #13	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	2846.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #14	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	2798.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #15	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2879.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #16	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	2844.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #17	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	2810.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #18	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	2892.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #19	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2831.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2824.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #20	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2914.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #21	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2862.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	2833.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #4	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	2852.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #5	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	2818.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #6	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	2892.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #7	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	2842.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #8	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	2862.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,2TBDMS,isomer #9	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	2866.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O	3038.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #10	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3038.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #11	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3026.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #12	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3128.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #13	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3047.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #14	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3153.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #15	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3105.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #16	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	3034.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #17	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3052.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #18	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3025.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #19	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3111.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	3059.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #20	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3047.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #21	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3037.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #22	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3118.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #23	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3036.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #24	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3119.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #25	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3107.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #26	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3032.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #27	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3011.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #28	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3080.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #29	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3045.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3056.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #30	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3123.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #31	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3078.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #32	CC(O)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3038.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #33	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3098.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #34	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3098.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #35	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3116.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #4	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3039.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #5	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3141.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #6	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	3004.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #7	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3050.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #8	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	2995.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,3TBDMS,isomer #9	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3098.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	3212.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #10	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3324.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #11	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3227.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #12	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3199.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #13	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3291.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #14	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3236.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #15	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3338.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #16	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3289.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #17	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3237.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #18	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3321.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #19	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3320.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3230.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #20	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3348.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #21	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3226.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #22	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3198.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #23	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3292.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #24	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3215.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #25	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3306.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #26	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3283.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #27	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3218.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #28	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3307.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #29	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3299.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3202.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #30	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3298.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #31	CC(O)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3221.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #32	CC(O)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3278.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #33	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3261.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #34	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3304.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #35	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3292.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #4	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3321.8	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #5	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3233.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #6	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3226.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #7	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3339.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #8	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3229.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,4TBDMS,isomer #9	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3341.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3422.7	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #10	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #11	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3422.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #12	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3497.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #13	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3485.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #14	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3510.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #15	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3507.3	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #16	CC(O)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3390.9	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #17	CC(O)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3493.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #18	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3462.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #19	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3472.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3395.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #20	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3474.1	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #21	CC(O)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3456.5	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3502.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #4	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3404.0	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #5	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #6	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O)[Si](C)(C)C(C)(C)C	3491.2	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #7	CC(O[Si](C)(C)C(C)(C)C)[C@H](NCC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3391.6	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #8	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3523.4	Semi standard non polar	33892256
N-(1-Deoxy-1-fructosyl)threonine,5TBDMS,isomer #9	CC(O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(CC1(O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)[Si](C)(C)C(C)(C)C	3511.3	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 - N-(1-Deoxy-1-fructosyl)threonine GC-MS (Non-derivatized) - 70eV, Positive	splash10-01p9-9340000000-46732d7a87fc5670181e	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine GC-MS (5 TMS) - 70eV, Positive	splash10-004i-6321069000-43cb4b0e5753328a69a7	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 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 - N-(1-Deoxy-1-fructosyl)threonine 10V, Positive-QTOF	splash10-03di-1590000000-4ca40e28956adb8db654	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 20V, Positive-QTOF	splash10-03xs-2490000000-f961ea5c48c5a9a0ab60	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 40V, Positive-QTOF	splash10-03di-6900000000-7a55494904f64fea6f05	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 10V, Negative-QTOF	splash10-001u-1690000000-04159995db1ea2e73d19	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 20V, Negative-QTOF	splash10-014r-2390000000-66ca6a0f00169e4db9da	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 40V, Negative-QTOF	splash10-0006-9200000000-0547dc5da13225cef8c8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 10V, Positive-QTOF	splash10-01q9-0090000000-60bad6f4d59ef7f4db68	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 20V, Positive-QTOF	splash10-03ei-3950000000-18dd11c324158a94dde9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 40V, Positive-QTOF	splash10-03dr-9400000000-61c255f357d49efedbfe	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 10V, Negative-QTOF	splash10-001i-0290000000-7ef07c7e252275f6c729	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 20V, Negative-QTOF	splash10-06si-5940000000-994e535ba466cd52d6f0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-(1-Deoxy-1-fructosyl)threonine 40V, Negative-QTOF	splash10-0abc-9300000000-1a5a0f98b230c5ef419f	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016994

KNApSAcK ID

Not Available

Chemspider ID

35014480

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131752246

PDB ID

Not Available

ChEBI ID

168466

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.. .

Showing metabocard for N-(1-Deoxy-1-fructosyl)threonine (HMDB0037843)

MOL for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

3D MOL for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

3D SDF for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

3D-SDF for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

PDB for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

3D PDB for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

SMILES for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

INCHI for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

Structure for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

3D Structure for HMDB0037843 (N-(1-Deoxy-1-fructosyl)threonine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra