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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (14)transporters (2) Show 16 proteins XML

enzymes (14)transporters (2) Show 16 proteins

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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 15:16:49 UTC

Update Date

2022-03-07 02:51:37 UTC

HMDB ID

HMDB0014426

Secondary Accession Numbers

HMDB14426

Metabolite Identification

Common Name

Lidocaine

Description

Lidocaine is only found in individuals that have used or taken this drug. It is a local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of procaine but its duration of action is shorter than that of bupivacaine or prilocaine. [PubChem]Lidocaine stabilizes the neuronal membrane by inhibiting the ionic fluxes required for the initiation and conduction of impulses thereby effecting local anesthetic action. Lidocaine alters signal conduction in neurons by blocking the fast voltage gated sodium (Na+) channels in the neuronal cell membrane that are responsible for signal propagation. With sufficient blockage the membrane of the postsynaptic neuron will not depolarize and will thus fail to transmit an action potential. This creates the anaesthetic effect by not merely preventing pain signals from propagating to the brain but by aborting their birth in the first place.

Structure

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

HMDB0014426
     RDKit          3D
Lidocaine
 39 39  0  0  0  0  0  0  0  0999 V2000
   -3.1630   -2.1942   -0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213   -0.8442   -0.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685    0.0418    0.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5580    0.4824    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5399    1.3877    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343    0.8772    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432    0.1489    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0373   -1.0987    0.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436    0.9171   -0.0470 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    0.3022    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226   -0.2172   -1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328   -0.1395   -2.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1588   -0.8009   -1.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745   -0.8711    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -0.3444    1.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832    0.2568    1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555    0.8125    2.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882   -3.0090   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7056   -2.4185    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2709   -2.2095   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4792   -0.4692   -1.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.9284   -1.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0633   -0.4035    1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1274    1.0528    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3696    1.5624    0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9386    1.0496   -0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0584    2.3924    0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094    1.5162   -0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382    1.5897    0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    1.9461   -0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284    0.7024   -2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -1.0857   -2.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212   -0.0505   -3.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816   -1.2173   -1.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8587   -1.3374    0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9154   -0.4014    2.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3654    1.0353    3.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703    1.7943    2.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696    0.1728    2.8888 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
  3  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 10  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  5 27  1  0
  6 28  1  0
  6 29  1  0
  9 30  1  0
 12 31  1  0
 12 32  1  0
 12 33  1  0
 13 34  1  0
 14 35  1  0
 15 36  1  0
 17 37  1  0
 17 38  1  0
 17 39  1  0
M  END

  Mrv1652311141916362D          

 17 17  0  0  0  0            999 V2000
   -3.3750    1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0895    1.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0895    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605    1.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9461    1.4188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750   -1.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6605    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9461   -0.2313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2316    1.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5171   -0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1973    1.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9118    1.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1973    0.1812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9118   -0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6263    0.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  3  2  0  0  0  0
  3  6  1  0  0  0  0
  6  8  2  0  0  0  0
  8  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  1  0  0  0  0
 10 11  2  0  0  0  0
 12 15  1  0  0  0  0
 15 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0014426

> <DATABASE_NAME>
hmdb

> <SMILES>
CCN(CC)CC(=O)NC1=C(C)C=CC=C1C

> <INCHI_IDENTIFIER>
InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)

> <INCHI_KEY>
NNJVILVZKWQKPM-UHFFFAOYSA-N

> <FORMULA>
C14H22N2O

> <MOLECULAR_WEIGHT>
234.3373

> <EXACT_MASS>
234.173213336

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
27.765610056988027

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide

> <ALOGPS_LOGP>
1.81

> <JCHEM_LOGP>
2.842913359666667

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.775423132503192

> <JCHEM_PKA_STRONGEST_BASIC>
7.754504502964598

> <JCHEM_POLAR_SURFACE_AREA>
32.34

> <JCHEM_REFRACTIVITY>
73.92960000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.93e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lidocaine

> <JCHEM_VEBER_RULE>
1

$$$$

HMDB0014426
     RDKit          3D
Lidocaine
 39 39  0  0  0  0  0  0  0  0999 V2000
   -3.1630   -2.1942   -0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213   -0.8442   -0.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685    0.0418    0.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5580    0.4824    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5399    1.3877    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343    0.8772    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432    0.1489    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0373   -1.0987    0.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436    0.9171   -0.0470 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    0.3022    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226   -0.2172   -1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328   -0.1395   -2.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1588   -0.8009   -1.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745   -0.8711    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -0.3444    1.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832    0.2568    1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555    0.8125    2.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882   -3.0090   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7056   -2.4185    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2709   -2.2095   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4792   -0.4692   -1.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.9284   -1.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0633   -0.4035    1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1274    1.0528    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3696    1.5624    0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9386    1.0496   -0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0584    2.3924    0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094    1.5162   -0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382    1.5897    0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    1.9461   -0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284    0.7024   -2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -1.0857   -2.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212   -0.0505   -3.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816   -1.2173   -1.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8587   -1.3374    0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9154   -0.4014    2.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3654    1.0353    3.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703    1.7943    2.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696    0.1728    2.8888 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
  3  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 10  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  5 27  1  0
  6 28  1  0
  6 29  1  0
  9 30  1  0
 12 31  1  0
 12 32  1  0
 12 33  1  0
 13 34  1  0
 14 35  1  0
 15 36  1  0
 17 37  1  0
 17 38  1  0
 17 39  1  0
M  END

HEADER    PROTEIN                                 14-NOV-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-NOV-19         0                                  
HETATM    1  C   UNK     0      -6.300   2.648   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.634   1.878   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.634   0.338   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.966   1.878   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.633   2.648   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.300  -0.432   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -6.300  -1.972   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.966   0.338   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -3.633  -0.432   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -2.299   0.338   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.299   1.878   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.965  -0.432   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.368   1.878   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.702   2.648   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       0.368   0.338   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       1.702  -0.432   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.036   0.338   0.000  0.00  0.00           C+0
CONECT    1    2    4                                                       
CONECT    2    1    3                                                       
CONECT    3    2    6                                                       
CONECT    4    1    8    5                                                  
CONECT    5    4                                                            
CONECT    6    3    8    7                                                  
CONECT    7    6                                                            
CONECT    8    6    4    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   12   11                                                  
CONECT   11   10                                                            
CONECT   12   10   15                                                       
CONECT   13   15   14                                                       
CONECT   14   13                                                            
CONECT   15   12   13   16                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   34    0
END

COMPND    HMDB0014426
HETATM    1  C1  UNL     1      -3.163  -2.194  -0.439  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.721  -0.844  -0.954  1.00  0.00           C  
HETATM    3  N1  UNL     1      -2.468   0.042   0.116  1.00  0.00           N  
HETATM    4  C3  UNL     1      -3.558   0.482   0.895  1.00  0.00           C  
HETATM    5  C4  UNL     1      -4.540   1.388   0.234  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.334   0.877   0.003  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.043   0.149   0.086  1.00  0.00           C  
HETATM    8  O1  UNL     1       0.037  -1.099   0.266  1.00  0.00           O  
HETATM    9  N2  UNL     1       1.144   0.917  -0.047  1.00  0.00           N  
HETATM   10  C7  UNL     1       2.417   0.302   0.026  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.923  -0.217  -1.148  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.133  -0.139  -2.428  1.00  0.00           C  
HETATM   13  C10 UNL     1       4.159  -0.801  -1.093  1.00  0.00           C  
HETATM   14  C11 UNL     1       4.875  -0.871   0.084  1.00  0.00           C  
HETATM   15  C12 UNL     1       4.348  -0.344   1.247  1.00  0.00           C  
HETATM   16  C13 UNL     1       3.083   0.257   1.206  1.00  0.00           C  
HETATM   17  C14 UNL     1       2.556   0.812   2.464  1.00  0.00           C  
HETATM   18  H1  UNL     1      -2.888  -3.009  -1.142  1.00  0.00           H  
HETATM   19  H2  UNL     1      -2.706  -2.419   0.545  1.00  0.00           H  
HETATM   20  H3  UNL     1      -4.271  -2.210  -0.297  1.00  0.00           H  
HETATM   21  H4  UNL     1      -3.479  -0.469  -1.689  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.780  -0.928  -1.562  1.00  0.00           H  
HETATM   23  H6  UNL     1      -4.063  -0.403   1.334  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.127   1.053   1.769  1.00  0.00           H  
HETATM   25  H8  UNL     1      -5.370   1.562   0.981  1.00  0.00           H  
HETATM   26  H9  UNL     1      -4.939   1.050  -0.721  1.00  0.00           H  
HETATM   27  H10 UNL     1      -4.058   2.392   0.126  1.00  0.00           H  
HETATM   28  H11 UNL     1      -1.309   1.516  -0.900  1.00  0.00           H  
HETATM   29  H12 UNL     1      -1.338   1.590   0.870  1.00  0.00           H  
HETATM   30  H13 UNL     1       1.128   1.946  -0.203  1.00  0.00           H  
HETATM   31  H14 UNL     1       1.428   0.702  -2.386  1.00  0.00           H  
HETATM   32  H15 UNL     1       1.545  -1.086  -2.565  1.00  0.00           H  
HETATM   33  H16 UNL     1       2.821  -0.050  -3.269  1.00  0.00           H  
HETATM   34  H17 UNL     1       4.582  -1.217  -1.996  1.00  0.00           H  
HETATM   35  H18 UNL     1       5.859  -1.337   0.123  1.00  0.00           H  
HETATM   36  H19 UNL     1       4.915  -0.401   2.164  1.00  0.00           H  
HETATM   37  H20 UNL     1       3.365   1.035   3.193  1.00  0.00           H  
HETATM   38  H21 UNL     1       2.070   1.794   2.218  1.00  0.00           H  
HETATM   39  H22 UNL     1       1.770   0.173   2.889  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   21   22
CONECT    3    4    6
CONECT    4    5   23   24
CONECT    5   25   26   27
CONECT    6    7   28   29
CONECT    7    8    8    9
CONECT    9   10   30
CONECT   10   11   11   16
CONECT   11   12   13
CONECT   12   31   32   33
CONECT   13   14   14   34
CONECT   14   15   35
CONECT   15   16   16   36
CONECT   16   17
CONECT   17   37   38   39
END

HMDB0014426
     RDKit          3D
Lidocaine
 39 39  0  0  0  0  0  0  0  0999 V2000
   -3.1630   -2.1942   -0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213   -0.8442   -0.9541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685    0.0418    0.1162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5580    0.4824    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5399    1.3877    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343    0.8772    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432    0.1489    0.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0373   -1.0987    0.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1436    0.9171   -0.0470 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4173    0.3022    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9226   -0.2172   -1.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1328   -0.1395   -2.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1588   -0.8009   -1.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8745   -0.8711    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -0.3444    1.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0832    0.2568    1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5555    0.8125    2.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882   -3.0090   -1.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7056   -2.4185    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2709   -2.2095   -0.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4792   -0.4692   -1.6889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7797   -0.9284   -1.5623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0633   -0.4035    1.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1274    1.0528    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3696    1.5624    0.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9386    1.0496   -0.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0584    2.3924    0.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3094    1.5162   -0.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382    1.5897    0.8701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    1.9461   -0.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4284    0.7024   -2.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -1.0857   -2.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8212   -0.0505   -3.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5816   -1.2173   -1.9961 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8587   -1.3374    0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9154   -0.4014    2.1638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3654    1.0353    3.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0703    1.7943    2.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696    0.1728    2.8888 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
  3  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 10  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  4 23  1  0
  4 24  1  0
  5 25  1  0
  5 26  1  0
  5 27  1  0
  6 28  1  0
  6 29  1  0
  9 30  1  0
 12 31  1  0
 12 32  1  0
 12 33  1  0
 13 34  1  0
 14 35  1  0
 15 36  1  0
 17 37  1  0
 17 38  1  0
 17 39  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2-(Diethylamino)-2',6'-acetoxylidide	ChEBI
2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide	ChEBI
alpha-Diethylamino-2,6-dimethylacetanilide	ChEBI
Lidoderm	ChEBI
Dentipatch	Kegg
Xylocaine	Kegg
a-Diethylamino-2,6-dimethylacetanilide	Generator
Α-diethylamino-2,6-dimethylacetanilide	Generator
Dilocaine	HMDB
L-Caine	HMDB
2-2ETN-2MePhAcN	HMDB
Astrazeneca brand OF lidocaine	HMDB
Dalcaine	HMDB
Jenapharm brand OF lidocanine hydrochloride	HMDB
Lidocaine carbonate	HMDB
Lidocaine hydrochloride	HMDB
Lidocaine monohydrochloride	HMDB
Lidocaine sulfate (1:1)	HMDB
Lignocaine	HMDB
Novocol brand OF lidocaine hydrochloride	HMDB
Octocaine	HMDB
Xylocitin	HMDB
Lidocaine carbonate (2:1)	HMDB
Strathmann brand OF lidocaine hydrochloride	HMDB
Xyloneural	HMDB
Lidocaine hydrocarbonate	HMDB
Lidocaine monoacetate	HMDB
Lidocaine monohydrochloride, monohydrate	HMDB
Xylesthesin	HMDB

Chemical Formula

C₁₄H₂₂N₂O

Average Molecular Weight

234.3373

Monoisotopic Molecular Weight

234.173213336

IUPAC Name

2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide

Traditional Name

lidocaine

CAS Registry Number

137-58-6

SMILES

CCN(CC)CC(=O)NC1=C(C)C=CC=C1C

InChI Identifier

InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)

InChI Key

NNJVILVZKWQKPM-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Xylenes

Direct Parent

m-Xylenes

Alternative Parents

Substituents

M-xylene
Tertiary aliphatic amine
Tertiary amine
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Amine
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

tertiary amino compound (CHEBI:6456 )
monocarboxylic acid amide (CHEBI:6456 )
benzenes (CHEBI:6456 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21059682)

Organ

Placenta (HMDB: HMDB0014426)

Excreta

Biofluid or Excreta

Urine (PMID: 21059682)
Feces (PMID: 27015276)

Cellular substructure

Source

Exogenous

Exogenous (HMDB: HMDB0014426)

Process

Naturally occurring process

Biological process

Biochemical pathway

Drug action pathway

Lidocaine (Antiarrhythmic) Action Pathway (PathBank: SMP0000328)
Lidocaine (Local Anaesthetic) Action Pathway (PathBank: SMP0000398)

Metabolic pathway

Lidocaine (Local Anaesthetic) Metabolism Pathway (PathBank: SMP0000620)

Role

Industrial application

Pharmaceutical industry

Anti-arrhythmia drug (HMDB: HMDB0014426)

Local anaesthetic (HMDB: HMDB0014426)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	68.5 °C	Not Available
Boiling Point	181 °C	Not Available
Water Solubility	0.59 g/L	Not Available
LogP	2.1	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	CBM	157.7	30932474

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.59 g/L	ALOGPS
logP	1.81	ALOGPS
logP	2.84	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	13.78	ChemAxon
pKa (Strongest Basic)	7.75	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	32.34 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	73.93 m³·mol⁻¹	ChemAxon
Polarizability	27.77 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	157.053	31661259
DarkChem	[M-H]-	156.914	31661259
DeepCCS	[M+H]+	158.602	30932474
DeepCCS	[M-H]-	156.244	30932474
DeepCCS	[M-2H]-	189.648	30932474
DeepCCS	[M+Na]+	164.765	30932474
AllCCS	[M+H]+	154.6	32859911
AllCCS	[M+H-H2O]+	150.9	32859911
AllCCS	[M+NH4]+	158.0	32859911
AllCCS	[M+Na]+	159.0	32859911
AllCCS	[M-H]-	160.7	32859911
AllCCS	[M+Na-2H]-	161.3	32859911
AllCCS	[M+HCOO]-	162.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lidocaine	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C	2358.7	Standard polar	33892256
Lidocaine	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C	1872.8	Standard non polar	33892256
Lidocaine	CCN(CC)CC(=O)NC1=C(C)C=CC=C1C	1881.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lidocaine,1TMS,isomer #1	CCN(CC)CC(=O)N(C1=C(C)C=CC=C1C)[Si](C)(C)C	1721.5	Semi standard non polar	33892256
Lidocaine,1TMS,isomer #1	CCN(CC)CC(=O)N(C1=C(C)C=CC=C1C)[Si](C)(C)C	1852.1	Standard non polar	33892256
Lidocaine,1TMS,isomer #1	CCN(CC)CC(=O)N(C1=C(C)C=CC=C1C)[Si](C)(C)C	2218.2	Standard polar	33892256
Lidocaine,1TBDMS,isomer #1	CCN(CC)CC(=O)N(C1=C(C)C=CC=C1C)[Si](C)(C)C(C)(C)C	1991.0	Semi standard non polar	33892256
Lidocaine,1TBDMS,isomer #1	CCN(CC)CC(=O)N(C1=C(C)C=CC=C1C)[Si](C)(C)C(C)(C)C	2061.3	Standard non polar	33892256
Lidocaine,1TBDMS,isomer #1	CCN(CC)CC(=O)N(C1=C(C)C=CC=C1C)[Si](C)(C)C(C)(C)C	2348.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lidocaine GC-MS (Non-derivatized) - 70eV, Positive	splash10-00xr-7900000000-a9354c2fae02587e1a3f	2017-08-28	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lidocaine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-000i-9000000000-38a47958df650b972703	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine 10V, Negative-QTOF	splash10-001i-0390000000-5a1868d5a3e74f540745	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine 20V, Negative-QTOF	splash10-01x0-0970000000-a6a212497ff43f58ed7c	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine 40V, Negative-QTOF	splash10-000b-1900000000-673b704f5bbb89458521	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine 30V, Negative-QTOF	splash10-0002-1930000000-f3734f8ffe8cb1de0df6	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-QTOF , positive-QTOF	splash10-000i-0090000000-7a90fe8d9b35b745cfce	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-QTOF , positive-QTOF	splash10-001i-0920000000-f9f648594c0f1642cc4c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-QTOF , positive-QTOF	splash10-0089-0900000000-5716ccc63e48696473bc	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-9d18ae1cd0a81ee63d35	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-0090000000-83bc5908a67b3ba4b826	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-8090000000-e305bfb01d615662d8a1	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-eab27554002663b2d3fd	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-1b684e31ff74300b808f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-b39af34b526d79a4b07b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-9466a1403df493f5b6e9	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-0090000000-c773b8e10c70518882c1	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-8090000000-00b6d0139ebe20cdb189	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-0b33ce49934844438e43	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-502494c9626d1dca25d1	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-b39af34b526d79a4b07b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-86c007695ec40849f993	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-ITFT , positive-QTOF	splash10-000i-9000000000-7f630b7fa4e36c59e0d2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-QTOF , positive-QTOF	splash10-000i-9060000000-b5aef137d8e488097fc4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-QTOF , positive-QTOF	splash10-000i-9000000000-b21ee69ce889ba36b5e5	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-QTOF , positive-QTOF	splash10-000i-9000000000-9d7555c18e41a90508a5	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lidocaine LC-ESI-QQ , positive-QTOF	splash10-000i-0090000000-3dd6e01da50ad1a66b2f	2017-09-14	HMDB team, MONA	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Blood
Feces
Urine

Tissue Locations

Placenta

Pathways

Name	SMPDB/PathBank	KEGG
Lidocaine (Local Anaesthetic) Action Pathway		Not Available
Lidocaine (Local Anaesthetic) Metabolism Pathway		Not Available
Lidocaine (Antiarrhythmic) Action Pathway		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00281	21059682	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00281	21059682	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	27015276	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details

Predicted Concentrations

Biospecimen	Value	Original age	Original sex	Original condition	Comments
Blood	0.000 uM	Adult (>18 years old)	Both	Normal	Predicted based on drug qualities
Blood	0.000 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Predicted based on drug qualities

Associated Disorders and Diseases

Disease References

Colorectal cancer

Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

DB00281

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

3548

KEGG Compound ID

C07073

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Lidocaine

METLIN ID

Not Available

PubChem Compound

3676

PDB ID

LQZ

ChEBI ID

6456

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

Thomson PD, Melmon KL, Richardson JA, Cohn K, Steinbrunn W, Cudihee R, Rowland M: Lidocaine pharmacokinetics in advanced heart failure, liver disease, and renal failure in humans. Ann Intern Med. 1973 Apr;78(4):499-508. [PubMed:4694036 ]
Khaliq W, Alam S, Puri N: Topical lidocaine for the treatment of postherpetic neuralgia. Cochrane Database Syst Rev. 2007 Apr 18;(2):CD004846. [PubMed:17443559 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Only showing the first 10 proteins. There are 16 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Cytochrome P450 3A4

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.
Gene Name:: CYP3A4
Uniprot ID:: P08684
Molecular weight:: 57255.585

References

Enzyme Details

2. Cytochrome P450 2C9

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. This enzyme contributes to the wide pharmacokinetics variability of the metabolism of drugs such as S-warfarin, diclofenac, phenytoin, tolbutamide and losartan.
Gene Name:: CYP2C9
Uniprot ID:: P11712
Molecular weight:: 55627.365

References

Enzyme Details

3. Epidermal growth factor receptor

General function:: Involved in transmembrane receptor protein tyrosine kinase activity
Specific function:: Isoform 2 may act as an antagonist of EGF action
Gene Name:: EGFR
Uniprot ID:: P00533
Molecular weight:: 134276.2

References

Enzyme Details

4. Cytochrome P450 2D6

General function:: Involved in monooxygenase activity
Specific function:: Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.
Gene Name:: CYP2D6
Uniprot ID:: P10635
Molecular weight:: 55768.94

References

Enzyme Details

5. Cytochrome P450 2C18

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.
Gene Name:: CYP2C18
Uniprot ID:: P33260
Molecular weight:: 55710.075

References

Enzyme Details

6. Cytochrome P450 2B6

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.
Gene Name:: CYP2B6
Uniprot ID:: P20813
Molecular weight:: 56277.81

References

Enzyme Details

7. Cytochrome P450 3A5

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.
Gene Name:: CYP3A5
Uniprot ID:: P20815
Molecular weight:: 57108.065

Enzyme Details

8. Cytochrome P450 3A7

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.
Gene Name:: CYP3A7
Uniprot ID:: P24462
Molecular weight:: 57525.03

Enzyme Details

9. Cytochrome P450 1A2

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Most active in catalyzing 2-hydroxylation. Caffeine is metabolized primarily by cytochrome CYP1A2 in the liver through an initial N3-demethylation. Also acts in the metabolism of aflatoxin B1 and acetaminophen. Participates in the bioactivation of carcinogenic aromatic and heterocyclic amines. Catalizes the N-hydroxylation of heterocyclic amines and the O-deethylation of phenacetin.
Gene Name:: CYP1A2
Uniprot ID:: P05177
Molecular weight:: 58406.915

References

Enzyme Details

10. Cytochrome P450 2C8

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. In the epoxidation of arachidonic acid it generates only 14,15- and 11,12-cis-epoxyeicosatrienoic acids. It is the principal enzyme responsible for the metabolism the anti-cancer drug paclitaxel (taxol).
Gene Name:: CYP2C8
Uniprot ID:: P10632
Molecular weight:: 55824.275

References

Transporters

Enzyme Details

1. Solute carrier family 22 member 5

General function:: Involved in ion transmembrane transporter activity
Specific function:: Sodium-ion dependent, high affinity carnitine transporter. Involved in the active cellular uptake of carnitine. Transports one sodium ion with one molecule of carnitine. Also transports organic cations such as tetraethylammonium (TEA) without the involvement of sodium. Also relative uptake activity ratio of carnitine to TEA is 11.3
Gene Name:: SLC22A5
Uniprot ID:: O76082
Molecular weight:: 62751.1

References

Enzyme Details

2. Multidrug resistance protein 1

General function:: Involved in ATP binding
Specific function:: Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells
Gene Name:: ABCB1
Uniprot ID:: P08183
Molecular weight:: 141477.3

References

Only showing the first 10 proteins. There are 16 proteins in total.

Show all enzymes and transporters

Showing metabocard for Lidocaine (HMDB0014426)

MOL for HMDB0014426 (Lidocaine)

3D MOL for HMDB0014426 (Lidocaine)

3D SDF for HMDB0014426 (Lidocaine)

3D-SDF for HMDB0014426 (Lidocaine)

PDB for HMDB0014426 (Lidocaine)

3D PDB for HMDB0014426 (Lidocaine)

SMILES for HMDB0014426 (Lidocaine)

INCHI for HMDB0014426 (Lidocaine)

Structure for HMDB0014426 (Lidocaine)

3D Structure for HMDB0014426 (Lidocaine)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

References

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Transporters

References

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