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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-10 23:09:36 UTC

Update Date

2021-09-26 22:54:59 UTC

HMDB ID

HMDB0246122

Secondary Accession Numbers

None

Metabolite Identification

Common Name

DL-Carbidopa

Description

3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Based on a literature review a significant number of articles have been published on 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). Dl-carbidopa is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically DL-Carbidopa 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

HMDB0246122
     RDKit          3D
DL-Carbidopa
 30 30  0  0  0  0  0  0  0  0999 V2000
   -1.3614    0.5571    1.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6169   -0.2555    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -1.2223   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888   -0.6063   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825   -0.2076   -1.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    0.3784   -1.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    0.5792   -0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545    1.1640   -0.9554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124    0.1824    0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7965    0.3824    1.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662   -0.4076    0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732    0.6384   -0.8766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8105    1.5351   -0.7570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728   -1.0352    0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -0.8747   -0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -1.9803    1.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3112    0.9243    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -0.0213    2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9953    1.4661    1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805   -2.0111    0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -1.7828   -0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.3332   -2.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7244    0.6915   -2.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    1.4701   -1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6084    0.1300    2.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4559   -0.6834    1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    0.1481   -1.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3495    1.6951   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4361    1.3906    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -1.9115    2.1981 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
  2 12  1  0
 12 13  1  0
  2 14  1  0
 14 15  2  0
 14 16  1  0
 11  4  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  3 21  1  0
  5 22  1  0
  6 23  1  0
  8 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 13 28  1  0
 13 29  1  0
 16 30  1  0
M  END

  Mrv1533004261514462D          

 16 16  0  0  0  0            999 V2000
    1.0164    3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414    1.7605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    1.7605    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4  9  1  0  0  0  0
  7 10  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0246122

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(CC1=CC(O)=C(O)C=C1)(NN)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)

> <INCHI_KEY>
TZFNLOMSOLWIDK-UHFFFAOYSA-N

> <FORMULA>
C10H14N2O4

> <MOLECULAR_WEIGHT>
226.232

> <EXACT_MASS>
226.095356939

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
22.03326120376775

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid

> <ALOGPS_LOGP>
-0.16

> <JCHEM_LOGP>
-1.2078362008406989

> <ALOGPS_LOGS>
-1.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.28650563164388

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.3544595300449216

> <JCHEM_PKA_STRONGEST_BASIC>
5.663329899668676

> <JCHEM_POLAR_SURFACE_AREA>
115.81

> <JCHEM_REFRACTIVITY>
68.7683

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.73e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbidopa

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0246122
     RDKit          3D
DL-Carbidopa
 30 30  0  0  0  0  0  0  0  0999 V2000
   -1.3614    0.5571    1.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6169   -0.2555    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -1.2223   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888   -0.6063   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825   -0.2076   -1.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    0.3784   -1.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    0.5792   -0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545    1.1640   -0.9554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124    0.1824    0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7965    0.3824    1.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662   -0.4076    0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732    0.6384   -0.8766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8105    1.5351   -0.7570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728   -1.0352    0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -0.8747   -0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -1.9803    1.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3112    0.9243    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -0.0213    2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9953    1.4661    1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805   -2.0111    0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -1.7828   -0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.3332   -2.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7244    0.6915   -2.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    1.4701   -1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6084    0.1300    2.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4559   -0.6834    1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    0.1481   -1.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3495    1.6951   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4361    1.3906    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -1.9115    2.1981 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
  2 12  1  0
 12 13  1  0
  2 14  1  0
 14 15  2  0
 14 16  1  0
 11  4  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  3 21  1  0
  5 22  1  0
  6 23  1  0
  8 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 13 28  1  0
 13 29  1  0
 16 30  1  0
M  END

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0       1.897   5.954   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       4.001   5.390   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.001   6.930   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       3.437   3.286   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       4.977   3.286   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   12   15                                             
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8    4                                                       
CONECT   10    7                                                            
CONECT   11    6                                                            
CONECT   12    2   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    2   16                                                       
CONECT   16   15                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0257070
HETATM    1  C1  UNL     1      -1.564  -1.283  -0.660  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.609   0.081  -0.025  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.585   1.022  -0.604  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.794   0.553  -0.442  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.369  -0.235  -1.414  1.00  0.00           C  
HETATM    6  C6  UNL     1       2.671  -0.696  -1.295  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.397  -0.356  -0.179  1.00  0.00           C  
HETATM    8  O1  UNL     1       4.720  -0.790   0.003  1.00  0.00           O  
HETATM    9  C8  UNL     1       2.844   0.422   0.791  1.00  0.00           C  
HETATM   10  O2  UNL     1       3.610   0.757   1.926  1.00  0.00           O  
HETATM   11  C9  UNL     1       1.550   0.876   0.664  1.00  0.00           C  
HETATM   12  N1  UNL     1      -1.439  -0.105   1.406  1.00  0.00           N  
HETATM   13  N2  UNL     1      -2.510  -0.920   1.814  1.00  0.00           N  
HETATM   14  C10 UNL     1      -2.947   0.662  -0.300  1.00  0.00           C  
HETATM   15  O3  UNL     1      -3.797   0.946   0.576  1.00  0.00           O  
HETATM   16  O4  UNL     1      -3.261   0.900  -1.628  1.00  0.00           O  
HETATM   17  H1  UNL     1      -2.459  -1.847  -0.322  1.00  0.00           H  
HETATM   18  H2  UNL     1      -1.549  -1.241  -1.767  1.00  0.00           H  
HETATM   19  H3  UNL     1      -0.677  -1.863  -0.318  1.00  0.00           H  
HETATM   20  H4  UNL     1      -0.658   2.029  -0.146  1.00  0.00           H  
HETATM   21  H5  UNL     1      -0.846   1.159  -1.678  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.831  -0.524  -2.305  1.00  0.00           H  
HETATM   23  H7  UNL     1       3.137  -1.317  -2.052  1.00  0.00           H  
HETATM   24  H8  UNL     1       5.120  -1.364  -0.718  1.00  0.00           H  
HETATM   25  H9  UNL     1       3.230   1.333   2.665  1.00  0.00           H  
HETATM   26  H10 UNL     1       1.161   1.496   1.474  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.458   0.811   1.908  1.00  0.00           H  
HETATM   28  H12 UNL     1      -2.193  -1.839   2.166  1.00  0.00           H  
HETATM   29  H13 UNL     1      -3.195  -0.429   2.394  1.00  0.00           H  
HETATM   30  H14 UNL     1      -3.687   1.764  -1.933  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3   12   14
CONECT    3    4   20   21
CONECT    4    5    5   11
CONECT    5    6   22
CONECT    6    7    7   23
CONECT    7    8    9
CONECT    8   24
CONECT    9   10   11   11
CONECT   10   25
CONECT   11   26
CONECT   12   13   27
CONECT   13   28   29
CONECT   14   15   15   16
CONECT   16   30
END

HMDB0246122
     RDKit          3D
DL-Carbidopa
 30 30  0  0  0  0  0  0  0  0999 V2000
   -1.3614    0.5571    1.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6169   -0.2555    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -1.2223   -0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888   -0.6063   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1825   -0.2076   -1.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    0.3784   -1.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3014    0.5792   -0.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5545    1.1640   -0.9554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9124    0.1824    0.4941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7965    0.3824    1.5455 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662   -0.4076    0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7732    0.6384   -0.8766 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8105    1.5351   -0.7570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728   -1.0352    0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8758   -0.8747   -0.3210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0010   -1.9803    1.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3112    0.9243    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5493   -0.0213    2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9953    1.4661    1.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805   -2.0111    0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -1.7828   -0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370   -0.3332   -2.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7244    0.6915   -2.8068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8870    1.4701   -1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6084    0.1300    2.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4559   -0.6834    1.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7382    0.1481   -1.7987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3495    1.6951   -1.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4361    1.3906    0.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3390   -1.9115    2.1981 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  2  0
  2 12  1  0
 12 13  1  0
  2 14  1  0
 14 15  2  0
 14 16  1  0
 11  4  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  3 21  1  0
  5 22  1  0
  6 23  1  0
  8 24  1  0
 10 25  1  0
 11 26  1  0
 12 27  1  0
 13 28  1  0
 13 29  1  0
 16 30  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-(3,4-Dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate	Generator
Methyldopahydrazine	MeSH, HMDB
Carbidopa	MeSH, HMDB
Carbidopa, (S)-isomer	MeSH, HMDB
Lodosin	MeSH, HMDB
Lodosyn	MeSH, HMDB
Carbidopa, (R)-isomer	MeSH, HMDB

Chemical Formula

C₁₀H₁₄N₂O₄

Average Molecular Weight

226.232

Monoisotopic Molecular Weight

226.095356939

IUPAC Name

3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid

Traditional Name

carbidopa

CAS Registry Number

Not Available

SMILES

CC(CC1=CC(O)=C(O)C=C1)(NN)C(O)=O

InChI Identifier

InChI=1S/C10H14N2O4/c1-10(12-11,9(15)16)5-6-2-3-7(13)8(14)4-6/h2-4,12-14H,5,11H2,1H3,(H,15,16)

InChI Key

TZFNLOMSOLWIDK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Phenylpropanoic acids

Sub Class

Not Available

Direct Parent

Phenylpropanoic acids

Alternative Parents

Substituents

3-phenylpropanoic-acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Phenylpropane
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Carboxylic acid derivative
Carboxylic acid
Alkylhydrazine
Monocarboxylic acid or derivatives
Organopnictogen compound
Hydrazine derivative
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Organic oxide
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

a small molecule (CPD-11550 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (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	-0.16	ALOGPS
logP	-1.2	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	2.35	ChemAxon
pKa (Strongest Basic)	5.66	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	115.81 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.77 m³·mol⁻¹	ChemAxon
Polarizability	22.03 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	147.646	30932474
DeepCCS	[M-H]-	145.288	30932474
DeepCCS	[M-2H]-	178.8	30932474
DeepCCS	[M+Na]+	153.74	30932474
AllCCS	[M+H]+	151.5	32859911
AllCCS	[M+H-H2O]+	147.8	32859911
AllCCS	[M+NH4]+	154.8	32859911
AllCCS	[M+Na]+	155.8	32859911
AllCCS	[M-H]-	149.1	32859911
AllCCS	[M+Na-2H]-	149.7	32859911
AllCCS	[M+HCOO]-	150.4	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
DL-Carbidopa,1TMS,isomer #1	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN)C(=O)O	2231.7	Semi standard non polar	33892256
DL-Carbidopa,1TMS,isomer #1	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN)C(=O)O	2142.4	Standard non polar	33892256
DL-Carbidopa,1TMS,isomer #1	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN)C(=O)O	3522.3	Standard polar	33892256
DL-Carbidopa,2TMS,isomer #10	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2397.5	Semi standard non polar	33892256
DL-Carbidopa,2TMS,isomer #10	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2214.6	Standard non polar	33892256
DL-Carbidopa,2TMS,isomer #10	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	3135.4	Standard polar	33892256
DL-Carbidopa,2TMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2493.6	Semi standard non polar	33892256
DL-Carbidopa,2TMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2275.1	Standard non polar	33892256
DL-Carbidopa,2TMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3178.0	Standard polar	33892256
DL-Carbidopa,2TMS,isomer #6	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN[Si](C)(C)C)C(=O)O	2248.7	Semi standard non polar	33892256
DL-Carbidopa,2TMS,isomer #6	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN[Si](C)(C)C)C(=O)O	2180.1	Standard non polar	33892256
DL-Carbidopa,2TMS,isomer #6	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN[Si](C)(C)C)C(=O)O	2911.7	Standard polar	33892256
DL-Carbidopa,2TMS,isomer #7	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C	2305.7	Semi standard non polar	33892256
DL-Carbidopa,2TMS,isomer #7	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C	2248.1	Standard non polar	33892256
DL-Carbidopa,2TMS,isomer #7	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C	3405.5	Standard polar	33892256
DL-Carbidopa,2TMS,isomer #8	CC(CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2262.1	Semi standard non polar	33892256
DL-Carbidopa,2TMS,isomer #8	CC(CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2158.1	Standard non polar	33892256
DL-Carbidopa,2TMS,isomer #8	CC(CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2832.9	Standard polar	33892256
DL-Carbidopa,2TMS,isomer #9	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	2300.1	Semi standard non polar	33892256
DL-Carbidopa,2TMS,isomer #9	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	2216.9	Standard non polar	33892256
DL-Carbidopa,2TMS,isomer #9	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	3503.2	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C	2186.6	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C	2206.1	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C	2838.6	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2362.8	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2264.8	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2770.4	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #11	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2434.0	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #11	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2304.7	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #11	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2810.9	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #12	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2337.7	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #12	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2264.8	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #12	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2674.6	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #13	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2440.8	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #13	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2297.7	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #13	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2692.9	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #14	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2568.3	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #14	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2347.7	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #14	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2940.3	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O	2234.7	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O	2188.1	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O	2664.1	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C	2301.2	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C	2266.6	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C	3167.7	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2173.3	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2226.2	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2603.7	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	2241.5	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	2292.4	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	3296.5	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2348.8	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2278.4	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2811.4	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2410.4	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2317.1	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2856.4	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2187.6	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2205.9	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2562.9	Standard polar	33892256
DL-Carbidopa,3TMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	2262.7	Semi standard non polar	33892256
DL-Carbidopa,3TMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	2279.9	Standard non polar	33892256
DL-Carbidopa,3TMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	3251.0	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2231.3	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2200.3	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2378.9	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2549.6	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2395.6	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2692.6	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2554.0	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2402.3	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2574.2	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	2310.2	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	2284.1	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N)[Si](C)(C)C	3075.8	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2386.2	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2262.0	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C)[Si](C)(C)C	2594.5	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #4	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2427.4	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #4	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2301.5	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #4	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2638.5	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2336.8	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2316.3	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2550.1	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2397.6	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2357.5	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2569.1	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2540.0	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2410.5	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2729.2	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2348.4	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2292.5	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2519.0	Standard polar	33892256
DL-Carbidopa,4TMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2413.4	Semi standard non polar	33892256
DL-Carbidopa,4TMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2333.3	Standard non polar	33892256
DL-Carbidopa,4TMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2537.3	Standard polar	33892256
DL-Carbidopa,5TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2421.3	Semi standard non polar	33892256
DL-Carbidopa,5TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2294.0	Standard non polar	33892256
DL-Carbidopa,5TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N[Si](C)(C)C)[Si](C)(C)C	2378.6	Standard polar	33892256
DL-Carbidopa,5TMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2474.8	Semi standard non polar	33892256
DL-Carbidopa,5TMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2318.5	Standard non polar	33892256
DL-Carbidopa,5TMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(NN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2406.1	Standard polar	33892256
DL-Carbidopa,5TMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2598.4	Semi standard non polar	33892256
DL-Carbidopa,5TMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2381.7	Standard non polar	33892256
DL-Carbidopa,5TMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2500.0	Standard polar	33892256
DL-Carbidopa,5TMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2584.5	Semi standard non polar	33892256
DL-Carbidopa,5TMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2450.2	Standard non polar	33892256
DL-Carbidopa,5TMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2449.9	Standard polar	33892256
DL-Carbidopa,5TMS,isomer #5	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2596.1	Semi standard non polar	33892256
DL-Carbidopa,5TMS,isomer #5	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2426.9	Standard non polar	33892256
DL-Carbidopa,5TMS,isomer #5	CC(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2415.4	Standard polar	33892256
DL-Carbidopa,6TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2701.9	Semi standard non polar	33892256
DL-Carbidopa,6TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2431.2	Standard non polar	33892256
DL-Carbidopa,6TMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)(C(=O)O[Si](C)(C)C)N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2319.6	Standard polar	33892256
DL-Carbidopa,1TBDMS,isomer #1	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O	2518.8	Semi standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #1	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O	2373.9	Standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #1	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O	3526.1	Standard polar	33892256
DL-Carbidopa,1TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN)C(=O)O	2533.9	Semi standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN)C(=O)O	2380.3	Standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN)C(=O)O	3454.7	Standard polar	33892256
DL-Carbidopa,1TBDMS,isomer #3	CC(CC1=CC=C(O)C(O)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	2558.0	Semi standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #3	CC(CC1=CC=C(O)C(O)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	2354.9	Standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #3	CC(CC1=CC=C(O)C(O)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	3549.9	Standard polar	33892256
DL-Carbidopa,1TBDMS,isomer #4	CC(CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	2601.0	Semi standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #4	CC(CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	2373.4	Standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #4	CC(CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	3366.5	Standard polar	33892256
DL-Carbidopa,1TBDMS,isomer #5	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	2595.2	Semi standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #5	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	2426.8	Standard non polar	33892256
DL-Carbidopa,1TBDMS,isomer #5	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	3765.3	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O	2769.8	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O	2625.3	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O	3153.9	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #10	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2899.7	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #10	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2655.9	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #10	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3063.8	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2925.3	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2674.7	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3131.9	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #2	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	2694.3	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #2	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	2661.3	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #2	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	3209.7	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #3	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	2793.4	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #3	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	2645.4	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #3	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	3060.8	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	2807.3	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	2713.7	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	3463.5	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #5	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	2735.1	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #5	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	2654.3	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #5	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	3167.0	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #6	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	2819.0	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #6	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	2636.1	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #6	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	3030.4	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #7	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	2827.9	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #7	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	2708.6	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #7	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	3433.3	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #8	CC(CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2807.3	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #8	CC(CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2625.2	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #8	CC(CC1=CC=C(O)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2906.2	Standard polar	33892256
DL-Carbidopa,2TBDMS,isomer #9	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	2817.9	Semi standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #9	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	2690.8	Standard non polar	33892256
DL-Carbidopa,2TBDMS,isomer #9	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	3452.0	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	2891.5	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	2823.5	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN)C(=O)O[Si](C)(C)C(C)(C)C	3065.2	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3113.0	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2871.8	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2996.9	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #11	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3159.5	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #11	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2892.5	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #11	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3019.9	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #12	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3065.4	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #12	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2880.9	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #12	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2900.2	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #13	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3105.5	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #13	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2889.4	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #13	CC(CC1=CC=C(O)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2894.5	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #14	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3221.2	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #14	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2924.1	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #14	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3022.5	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	2980.2	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	2801.9	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O	2950.6	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	3036.5	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	2886.0	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N)[Si](C)(C)C(C)(C)C	3357.6	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2917.0	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2852.2	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2873.2	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	2943.0	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	2933.9	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	3403.0	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3096.3	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2884.9	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3019.5	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3133.5	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2906.3	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3046.0	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2953.6	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2834.0	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2849.4	Standard polar	33892256
DL-Carbidopa,3TBDMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	2972.8	Semi standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	2923.1	Standard non polar	33892256
DL-Carbidopa,3TBDMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	3376.1	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3137.8	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2939.8	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2815.2	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3447.1	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3097.5	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #10	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2982.0	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3369.9	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3126.5	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #11	CC(CC1=CC=C(O)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2867.5	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	3183.3	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	3049.1	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N)[Si](C)(C)C(C)(C)C	3346.5	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3301.3	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2980.1	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2954.2	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #4	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3341.5	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #4	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3005.0	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #4	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2956.3	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3216.8	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3059.1	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #5	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2917.4	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3287.9	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3071.3	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #6	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2897.7	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3438.9	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3112.6	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #7	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3013.2	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3237.5	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3041.4	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #8	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2887.0	Standard polar	33892256
DL-Carbidopa,4TBDMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3312.0	Semi standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3054.7	Standard non polar	33892256
DL-Carbidopa,4TBDMS,isomer #9	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2865.5	Standard polar	33892256
DL-Carbidopa,5TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3458.8	Semi standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3175.3	Standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #1	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2867.8	Standard polar	33892256
DL-Carbidopa,5TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3536.4	Semi standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3180.1	Standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #2	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(NN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2849.5	Standard polar	33892256
DL-Carbidopa,5TBDMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3673.8	Semi standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3229.0	Standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #3	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2937.6	Standard polar	33892256
DL-Carbidopa,5TBDMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3642.6	Semi standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3298.1	Standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #4	CC(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2905.0	Standard polar	33892256
DL-Carbidopa,5TBDMS,isomer #5	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3653.3	Semi standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #5	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3285.6	Standard non polar	33892256
DL-Carbidopa,5TBDMS,isomer #5	CC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)(C(=O)O[Si](C)(C)C(C)(C)C)N(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2874.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (Non-derivatized) - 70eV, Positive	splash10-00e9-3900000000-26c242caea6b5f75f82e	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - DL-Carbidopa GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - DL-Carbidopa 10V, Positive-QTOF	splash10-003r-0950000000-d304dfb158072a55b9db	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - DL-Carbidopa 20V, Positive-QTOF	splash10-00e9-2900000000-eaccc21f6f8038d9897c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - DL-Carbidopa 40V, Positive-QTOF	splash10-05fr-9400000000-94536afed8baecf9b7f6	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - DL-Carbidopa 10V, Negative-QTOF	splash10-01si-0910000000-bda3c1f377846ab5976d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - DL-Carbidopa 20V, Negative-QTOF	splash10-0002-2900000000-7cf8eca30b1c42cf3cae	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - DL-Carbidopa 40V, Negative-QTOF	splash10-00di-7900000000-8f2600bec3907643cf6e	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

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

2465

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

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 DL-Carbidopa (HMDB0246122)

MOL for HMDB0246122 (DL-Carbidopa)

3D MOL for HMDB0246122 (DL-Carbidopa)

3D SDF for HMDB0246122 (DL-Carbidopa)

3D-SDF for HMDB0246122 (DL-Carbidopa)

PDB for HMDB0246122 (DL-Carbidopa)

3D PDB for HMDB0246122 (DL-Carbidopa)

SMILES for HMDB0246122 (DL-Carbidopa)

INCHI for HMDB0246122 (DL-Carbidopa)

Structure for HMDB0246122 (DL-Carbidopa)

3D Structure for HMDB0246122 (DL-Carbidopa)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra