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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 23:42:29 UTC

Update Date

2021-09-26 23:18:07 UTC

HMDB ID

HMDB0260161

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid

Description

4-amino-1,3-dioxohexane-1,2,6-tricarboxylic acid belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. Based on a literature review very few articles have been published on 4-amino-1,3-dioxohexane-1,2,6-tricarboxylic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (4s)-4-amino-1,3-dioxohexane-1,2,6-tricarboxylic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0260161
     RDKit          3D
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid
 29 28  0  0  0  0  0  0  0  0999 V2000
    0.5672   -1.8634    0.2174 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -0.6079   -0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7262    0.2190    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9806   -0.5664   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789    0.1574    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4396    0.1381    1.5383 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9523    0.8218   -0.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6698    0.2058   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611    1.2949   -0.8177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8732   -0.1894    0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4261   -1.4217   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675   -1.9038   -1.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5662   -2.0409    0.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9010    0.8759    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0149    0.6319   -0.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231    2.2378    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5253    2.5530    1.3308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743    3.2368    0.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149   -2.0549    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116   -2.6227   -0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180   -0.7190   -1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508    0.3158    1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    1.2044   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139   -0.6883   -1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872   -1.5749    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5537    1.5379   -1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6752   -0.3643    1.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7007   -3.0143    0.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    4.2014    0.4789 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  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
 10 27  1  0
 13 28  1  0
 18 29  1  0
M  END


  Mrv1652309122101422D          

 18 17  0  0  0  0            999 V2000
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    0.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    0.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    1.3184    0.0000 N   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  2  0  0  0  0
  3  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  9 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0260161

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CCC(O)=O)C(=O)C(C(O)=O)C(=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H11NO8/c10-3(1-2-4(11)12)6(13)5(8(15)16)7(14)9(17)18/h3,5H,1-2,10H2,(H,11,12)(H,15,16)(H,17,18)

> <INCHI_KEY>
RNZCHNWWKFDVGE-UHFFFAOYSA-N

> <FORMULA>
C9H11NO8

> <MOLECULAR_WEIGHT>
261.186

> <EXACT_MASS>
261.048466318

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
22.060734762915956

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-amino-1,3-dioxohexane-1,2,6-tricarboxylic acid

> <ALOGPS_LOGP>
-1.63

> <JCHEM_LOGP>
-3.2773994968314013

> <ALOGPS_LOGS>
-2.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.0636631437435105

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.245791172228985

> <JCHEM_PKA_STRONGEST_BASIC>
7.727549491644007

> <JCHEM_POLAR_SURFACE_AREA>
172.06

> <JCHEM_REFRACTIVITY>
52.820600000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-amino-1,3-dioxohexane-1,2,6-tricarboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0260161
     RDKit          3D
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid
 29 28  0  0  0  0  0  0  0  0999 V2000
    0.5672   -1.8634    0.2174 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -0.6079   -0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7262    0.2190    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9806   -0.5664   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789    0.1574    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4396    0.1381    1.5383 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9523    0.8218   -0.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6698    0.2058   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611    1.2949   -0.8177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8732   -0.1894    0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4261   -1.4217   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675   -1.9038   -1.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5662   -2.0409    0.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9010    0.8759    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0149    0.6319   -0.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231    2.2378    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5253    2.5530    1.3308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743    3.2368    0.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149   -2.0549    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116   -2.6227   -0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180   -0.7190   -1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508    0.3158    1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    1.2044   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139   -0.6883   -1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872   -1.5749    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5537    1.5379   -1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6752   -0.3643    1.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7007   -3.0143    0.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    4.2014    0.4789 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  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
 10 27  1  0
 13 28  1  0
 18 29  1  0
M  END

HEADER    PROTEIN                                 12-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-21         0                                  
HETATM    1  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.596   4.771   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.263   4.001   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.596   6.311   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      10.931   6.311   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      13.598   6.311   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      16.266   4.771   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      14.932   2.461   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      12.265   2.461   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      13.598   1.691   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      10.931   1.691   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0       9.597   2.461   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    1    7   18                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   15                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    9   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18    6                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

COMPND    HMDB0260161
HETATM    1  N1  UNL     1       0.567  -1.863   0.217  1.00  0.00           N  
HETATM    2  C1  UNL     1       0.556  -0.608  -0.427  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.726   0.219   0.127  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.981  -0.566  -0.192  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.179   0.157   0.309  1.00  0.00           C  
HETATM    6  O1  UNL     1       4.440   0.138   1.538  1.00  0.00           O  
HETATM    7  O2  UNL     1       4.952   0.822  -0.623  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.670   0.206  -0.273  1.00  0.00           C  
HETATM    9  O3  UNL     1      -0.661   1.295  -0.818  1.00  0.00           O  
HETATM   10  C6  UNL     1      -1.873  -0.189   0.470  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.426  -1.422  -0.144  1.00  0.00           C  
HETATM   12  O4  UNL     1      -1.868  -1.904  -1.149  1.00  0.00           O  
HETATM   13  O5  UNL     1      -3.566  -2.041   0.396  1.00  0.00           O  
HETATM   14  C8  UNL     1      -2.901   0.876   0.335  1.00  0.00           C  
HETATM   15  O6  UNL     1      -4.015   0.632  -0.178  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.623   2.238   0.804  1.00  0.00           C  
HETATM   17  O7  UNL     1      -1.525   2.553   1.331  1.00  0.00           O  
HETATM   18  O8  UNL     1      -3.574   3.237   0.682  1.00  0.00           O  
HETATM   19  H1  UNL     1      -0.115  -2.055   0.951  1.00  0.00           H  
HETATM   20  H2  UNL     1       0.712  -2.623  -0.482  1.00  0.00           H  
HETATM   21  H3  UNL     1       0.718  -0.719  -1.536  1.00  0.00           H  
HETATM   22  H4  UNL     1       1.551   0.316   1.216  1.00  0.00           H  
HETATM   23  H5  UNL     1       1.725   1.204  -0.376  1.00  0.00           H  
HETATM   24  H6  UNL     1       3.014  -0.688  -1.297  1.00  0.00           H  
HETATM   25  H7  UNL     1       2.887  -1.575   0.244  1.00  0.00           H  
HETATM   26  H8  UNL     1       4.554   1.538  -1.202  1.00  0.00           H  
HETATM   27  H9  UNL     1      -1.675  -0.364   1.554  1.00  0.00           H  
HETATM   28  H10 UNL     1      -3.701  -3.014   0.193  1.00  0.00           H  
HETATM   29  H11 UNL     1      -3.367   4.201   0.479  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3    8   21
CONECT    3    4   22   23
CONECT    4    5   24   25
CONECT    5    6    6    7
CONECT    7   26
CONECT    8    9    9   10
CONECT   10   11   14   27
CONECT   11   12   12   13
CONECT   13   28
CONECT   14   15   15   16
CONECT   16   17   17   18
CONECT   18   29
END

HMDB0260161
     RDKit          3D
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid
 29 28  0  0  0  0  0  0  0  0999 V2000
    0.5672   -1.8634    0.2174 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558   -0.6079   -0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7262    0.2190    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9806   -0.5664   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1789    0.1574    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4396    0.1381    1.5383 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9523    0.8218   -0.6230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6698    0.2058   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611    1.2949   -0.8177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8732   -0.1894    0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4261   -1.4217   -0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8675   -1.9038   -1.1488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5662   -2.0409    0.3962 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9010    0.8759    0.3349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0149    0.6319   -0.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6231    2.2378    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5253    2.5530    1.3308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5743    3.2368    0.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149   -2.0549    0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7116   -2.6227   -0.4825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180   -0.7190   -1.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508    0.3158    1.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    1.2044   -0.3761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139   -0.6883   -1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8872   -1.5749    0.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5537    1.5379   -1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6752   -0.3643    1.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7007   -3.0143    0.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    4.2014    0.4789 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  2  0
  5  7  1  0
  2  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  3 22  1  0
  3 23  1  0
  4 24  1  0
  4 25  1  0
  7 26  1  0
 10 27  1  0
 13 28  1  0
 18 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-Amino-1,3-dioxohexane-1,2,6-tricarboxylate	Generator
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylate	Generator

Chemical Formula

C₉H₁₁NO₈

Average Molecular Weight

261.186

Monoisotopic Molecular Weight

261.048466318

IUPAC Name

4-amino-1,3-dioxohexane-1,2,6-tricarboxylic acid

Traditional Name

4-amino-1,3-dioxohexane-1,2,6-tricarboxylic acid

CAS Registry Number

Not Available

SMILES

NC(CCC(O)=O)C(=O)C(C(O)=O)C(=O)C(O)=O

InChI Identifier

InChI=1S/C9H11NO8/c10-3(1-2-4(11)12)6(13)5(8(15)16)7(14)9(17)18/h3,5H,1-2,10H2,(H,11,12)(H,15,16)(H,17,18)

InChI Key

RNZCHNWWKFDVGE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Gamma amino acids and derivatives

Alternative Parents

Substituents

Gamma amino acid or derivatives
Tricarboxylic acid or derivatives
Gamma-keto acid
Amino fatty acid
Beta-keto acid
1,3-diketone
Alpha-keto acid
Beta-hydroxy ketone
Gamma-aminoketone
Keto acid
1,3-dicarbonyl compound
Fatty acyl
Alpha-hydroxy ketone
Alpha-aminoketone
Ketone
Amino acid
Carboxylic acid
Primary aliphatic amine
Organic oxide
Carbonyl group
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Amine
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

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
logP	-1.6	ALOGPS
logP	-3.3	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	2.25	ChemAxon
pKa (Strongest Basic)	7.73	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	172.06 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	52.82 m³·mol⁻¹	ChemAxon
Polarizability	22.06 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	155.003	32859911
AllCCS	[M+H-H2O]+	151.667	32859911
AllCCS	[M+Na]+	158.985	32859911
AllCCS	[M+NH4]+	158.096	32859911
AllCCS	[M-H]-	150.242	32859911
AllCCS	[M+Na-2H]-	150.418	32859911
AllCCS	[M+HCOO]-	150.717	32859911
DeepCCS	[M+H]+	156.003	30932474
DeepCCS	[M-H]-	153.645	30932474
DeepCCS	[M-2H]-	186.531	30932474
DeepCCS	[M+Na]+	162.097	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid	NC(CCC(O)=O)C(=O)C(C(O)=O)C(=O)C(O)=O	3373.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid	NC(CCC(O)=O)C(=O)C(C(O)=O)C(=O)C(O)=O	1805.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid	NC(CCC(O)=O)C(=O)C(C(O)=O)C(=O)C(O)=O	2163.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(N)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2282.9	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(N)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2272.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(N)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	3303.9	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C	2330.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C	2330.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #10	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C	2774.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2432.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2225.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #11	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3347.4	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C	2419.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C	2323.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C	2897.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #13	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2310.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #13	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2330.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #13	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2795.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2428.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2424.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #14	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2833.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2495.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2411.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #15	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2943.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O	2461.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O	2341.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O	2961.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2524.9	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2394.9	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #17	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3018.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #18	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2468.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #18	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2422.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #18	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2931.9	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(N)CCC(=O)O	2467.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(N)CCC(=O)O	2182.9	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #19	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(N)CCC(=O)O	3372.4	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2412.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2226.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	3401.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #20	C[Si](C)(C)NC(CCC(=O)O)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2332.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #20	C[Si](C)(C)NC(CCC(=O)O)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2317.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #20	C[Si](C)(C)NC(CCC(=O)O)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2853.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #21	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2422.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #21	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2318.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #21	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2909.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #22	C[Si](C)(C)NC(CCC(=O)O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2331.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #22	C[Si](C)(C)NC(CCC(=O)O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2320.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #22	C[Si](C)(C)NC(CCC(=O)O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2830.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2408.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2398.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #23	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2857.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #24	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2472.5	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #24	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2311.9	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #24	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2994.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2479.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2422.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #25	C[Si](C)(C)OC(=O)C(C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2974.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)C(C(=O)C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2524.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)C(C(=O)C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2373.9	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #26	C[Si](C)(C)OC(=O)C(C(=O)C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3030.0	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)C(C(=O)C(=O)O)=C(O[Si](C)(C)C)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2498.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)C(C(=O)C(=O)O)=C(O[Si](C)(C)C)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2405.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #27	C[Si](C)(C)OC(=O)C(C(=O)C(=O)O)=C(O[Si](C)(C)C)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2981.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #28	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2460.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #28	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2311.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #28	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2990.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2468.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2411.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #29	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2966.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(N)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2264.5	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(N)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2255.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(N)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3376.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #30	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2511.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #30	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2380.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #30	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2983.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #31	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2497.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #31	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2397.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #31	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2961.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #32	C[Si](C)(C)OC(C(=O)O)=C(C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2560.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #32	C[Si](C)(C)OC(C(=O)O)=C(C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2372.9	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #32	C[Si](C)(C)OC(C(=O)O)=C(C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3078.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2245.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2316.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2688.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O	2317.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O	2321.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O	2799.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2442.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2255.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	3336.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O	2435.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O	2308.8	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O	2947.0	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #8	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2304.9	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #8	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2340.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #8	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2807.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2438.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2395.8	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2890.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2281.6	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2362.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2588.0	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2496.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2420.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #10	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2685.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #11	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2447.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #11	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2358.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #11	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2733.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2532.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2396.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #12	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2698.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2465.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2435.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #13	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2692.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2568.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2388.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #14	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2823.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #15	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2483.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #15	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2323.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #15	C[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2780.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2501.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2433.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #16	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2743.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2511.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2398.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #17	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2720.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2495.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2421.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #18	C[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2734.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C(=C(O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2591.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C(=C(O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2382.9	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #19	C[Si](C)(C)OC(=O)C(=C(O[Si](C)(C)C)C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2867.0	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2409.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2253.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #2	C[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3262.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2579.5	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2375.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #20	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2861.4	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2397.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2355.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C	2653.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2268.6	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2359.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2612.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2432.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2435.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2604.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2495.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2425.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2706.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2451.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2366.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #7	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O	2739.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2559.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2383.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #8	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2747.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2487.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2446.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TMS,isomer #9	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2703.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2466.5	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2473.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2579.0	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2413.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2410.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2618.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2506.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2437.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #3	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)C(=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2567.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2435.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2479.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #4	C[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2590.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2589.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2433.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #5	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2662.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2550.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2425.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #6	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2655.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #7	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2579.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #7	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2412.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,6TMS,isomer #7	C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)=C(C(=O)O[Si](C)(C)C)C(O[Si](C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2699.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2522.9	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2489.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,7TMS,isomer #1	C[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C)C(C(=O)O[Si](C)(C)C)=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2617.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3162.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	2984.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3439.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3223.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3030.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3160.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3267.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2909.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3533.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3275.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	2986.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3222.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3231.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3033.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3176.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3294.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3105.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3138.4	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3382.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3099.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3211.4	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3315.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	2974.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3278.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3319.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3089.8	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3252.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3379.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3100.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3211.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N)CCC(=O)O	3261.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N)CCC(=O)O	2863.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(N)CCC(=O)O	3561.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3251.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	2962.9	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3554.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3181.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2986.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3227.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3264.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	2960.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3245.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3178.6	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	2990.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3210.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3270.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3077.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3169.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3284.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	2921.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3315.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(C(=O)C(CCC(=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)O	3334.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(C(=O)C(CCC(=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)O	3063.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(C(=O)C(CCC(=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)O	3258.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(C(=O)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3305.5	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(C(=O)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3063.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(C(=O)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3277.4	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C(C(=O)C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3320.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C(C(=O)C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3053.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C(C(=O)C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3254.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3256.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2921.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3309.9	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3329.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3057.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3247.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3156.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2978.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3487.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3303.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3049.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3248.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3356.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3052.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3240.9	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(C(=O)O)=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3354.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(C(=O)O)=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3023.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(C(=O)O)=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3335.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3153.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3058.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3119.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O	3207.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O	3031.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O	3174.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3286.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	2930.8	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3536.4	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O	3293.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O	2993.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O	3250.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3229.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3037.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3188.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3302.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3114.8	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3171.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3372.5	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3195.8	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3140.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3260.8	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3144.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3476.6	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3123.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3219.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3546.6	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3236.0	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3155.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.3	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3264.2	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3151.4	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3609.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3207.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3229.3	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3458.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3081.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(=O)O)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3256.9	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3527.4	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3226.6	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3194.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3523.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3216.5	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3175.8	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3525.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3228.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3186.6	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(=C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3558.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(=C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3168.9	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(=C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3262.0	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3452.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3060.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CCC(N)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3531.9	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3546.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3161.3	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O)C(O[Si](C)(C)C(C)(C)C)=C(CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3255.7	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3464.0	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3159.9	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C	3170.9	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3377.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3190.4	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3154.5	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3487.7	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3294.8	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3093.4	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3551.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3258.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(O[Si](C)(C)C(C)(C)C)=C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3156.2	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3501.2	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3124.8	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CCC(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O	3226.1	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3558.8	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3243.7	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CCC(=C(O[Si](C)(C)C(C)(C)C)C(C(=O)O[Si](C)(C)C(C)(C)C)C(=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3177.9	Standard polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3561.1	Semi standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3269.1	Standard non polar	33892256
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CCC(C(=O)C(C(=O)O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3162.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a59-9720000000-72e53db268278863092d	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

20029727

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for (4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid (HMDB0260161)

MOL for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

3D MOL for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

3D SDF for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

3D-SDF for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

PDB for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

3D PDB for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

SMILES for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

INCHI for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

Structure for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

3D Structure for HMDB0260161 ((4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra