Hmdb loader

Showing metabocard for Metronidazole (HMDB0015052)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (3) Show 3 proteinsXML
enzymes (3) Show 3 proteins
Show more...Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2023-02-21 17:18:22 UTC
HMDB IDHMDB0015052
Secondary Accession Numbers
  • HMDB15052
Metabolite Identification
Common NameMetronidazole
DescriptionMetronidazole, also known as metrogel-vaginal or flagyl, belongs to the class of organic compounds known as nitroimidazoles. Nitroimidazoles are compounds containing an imidazole ring which bears a nitro group. Metronidazole is a moderately basic compound (based on its pKa). Metronidazole is formally rated as a possible carcinogen (by IARC 2B) and is also a potentially toxic compound.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0015052 (Metronidazole)

916
  Mrv1652305271900212D          

 12 12  0  0  0  0            999 V2000
    2.3876   -1.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1674    1.3064    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7258   -0.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022    0.5244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897    1.7939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    0.7543    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1022   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7696    1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3876   -0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5147    1.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
M  CHG  2   2  -1   6   1
M  END
Download

3D MOL for HMDB0015052 (Metronidazole)

HMDB0015052
     RDKit          3D
Metronidazole
 21 21  0  0  0  0  0  0  0  0999 V2000
   -1.4378   -1.8268    0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3297   -0.4085    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214    0.5233    0.6474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183    1.6650    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5998    1.4094   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449    2.3885   -1.1965 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.2129    2.0892   -1.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942    3.6703   -1.2703 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.3260    0.1080   -0.3418 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149   -0.5838   -0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9760   -0.5748    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6527   -1.1647    1.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0803   -1.8917    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242   -2.5274    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5286   -2.1018    0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3532    2.5983    0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1847   -0.2437   -1.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716   -1.6774   -0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317    0.4320    0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765   -1.2046   -0.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477   -0.6789    2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  9  2  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 12 21  1  0
M  CHG  2   6   1   8  -1
M  END
Download

3D SDF for HMDB0015052 (Metronidazole)

916
  Mrv1652305271900212D          

 12 12  0  0  0  0            999 V2000
    2.3876   -1.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1674    1.3064    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.7258   -0.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022    0.5244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6897    1.7939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5542    0.7543    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1022   -0.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347    1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7696    1.0093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3876   -0.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5147    1.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 11  2  0  0  0  0
M  CHG  2   2  -1   6   1
M  END
> <DATABASE_ID>
HMDB0015052

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=NC=C(N1CCO)[N+]([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3

> <INCHI_KEY>
VAOCPAMSLUNLGC-UHFFFAOYSA-N

> <FORMULA>
C6H9N3O3

> <MOLECULAR_WEIGHT>
171.154

> <EXACT_MASS>
171.064391169

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
21

> <JCHEM_AVERAGE_POLARIZABILITY>
15.865661408610908

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol

> <ALOGPS_LOGP>
-0.15

> <JCHEM_LOGP>
-0.45931022466666654

> <ALOGPS_LOGS>
-1.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.4232507681049

> <JCHEM_PKA_STRONGEST_BASIC>
2.5709394271776644

> <JCHEM_POLAR_SURFACE_AREA>
81.19

> <JCHEM_REFRACTIVITY>
40.2163

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.92e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
metronidazole

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0015052 (Metronidazole)

HMDB0015052
     RDKit          3D
Metronidazole
 21 21  0  0  0  0  0  0  0  0999 V2000
   -1.4378   -1.8268    0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3297   -0.4085    0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214    0.5233    0.6474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183    1.6650    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5998    1.4094   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1449    2.3885   -1.1965 N   0  0  0  0  0  4  0  0  0  0  0  0
    1.2129    2.0892   -1.7368 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2942    3.6703   -1.2703 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.3260    0.1080   -0.3418 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8149   -0.5838   -0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9760   -0.5748    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6527   -1.1647    1.3443 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0803   -1.8917    1.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242   -2.5274    0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5286   -2.1018    0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3532    2.5983    0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1847   -0.2437   -1.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5716   -1.6774   -0.9830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4317    0.4320    0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765   -1.2046   -0.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1477   -0.6789    2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  9  2  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 12 21  1  0
M  CHG  2   6   1   8  -1
M  END
Download

PDB for HMDB0015052 (Metronidazole)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 916                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0       4.457  -2.871   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       9.646   2.439   0.000  0.00  0.00           O-1
HETATM    3  O   UNK     0       8.821  -0.098   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       5.791   0.979   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       5.021   3.349   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0       8.501   1.408   0.000  0.00  0.00           N+1
HETATM    7  C   UNK     0       5.791  -0.561   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.545   1.884   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.037   1.884   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.457  -1.331   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.561   3.349   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.080   1.408   0.000  0.00  0.00           C+0
CONECT    1   10                                                            
CONECT    2    6                                                            
CONECT    3    6                                                            
CONECT    4    7    8    9                                                  
CONECT    5    8   11                                                       
CONECT    6    2    3    9                                                  
CONECT    7    4   10                                                       
CONECT    8    4    5   12                                                  
CONECT    9    4    6   11                                                  
CONECT   10    1    7                                                       
CONECT   11    5    9                                                       
CONECT   12    8                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
Download

3D PDB for HMDB0015052 (Metronidazole)

COMPND    HMDB0015052
HETATM    1  C1  UNL     1      -1.438  -1.827   0.796  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.330  -0.408   0.370  1.00  0.00           C  
HETATM    3  N1  UNL     1      -2.221   0.523   0.647  1.00  0.00           N  
HETATM    4  C3  UNL     1      -1.818   1.665   0.123  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.600   1.409  -0.516  1.00  0.00           C  
HETATM    6  N2  UNL     1       0.145   2.388  -1.196  1.00  0.00           N1+
HETATM    7  O1  UNL     1       1.213   2.089  -1.737  1.00  0.00           O  
HETATM    8  O2  UNL     1      -0.294   3.670  -1.270  1.00  0.00           O1-
HETATM    9  N3  UNL     1      -0.326   0.108  -0.342  1.00  0.00           N  
HETATM   10  C5  UNL     1       0.815  -0.584  -0.825  1.00  0.00           C  
HETATM   11  C6  UNL     1       1.976  -0.575   0.146  1.00  0.00           C  
HETATM   12  O3  UNL     1       1.653  -1.165   1.344  1.00  0.00           O  
HETATM   13  H1  UNL     1      -1.080  -1.892   1.841  1.00  0.00           H  
HETATM   14  H2  UNL     1      -0.924  -2.527   0.108  1.00  0.00           H  
HETATM   15  H3  UNL     1      -2.529  -2.102   0.729  1.00  0.00           H  
HETATM   16  H4  UNL     1      -2.353   2.598   0.193  1.00  0.00           H  
HETATM   17  H5  UNL     1       1.185  -0.244  -1.817  1.00  0.00           H  
HETATM   18  H6  UNL     1       0.572  -1.677  -0.983  1.00  0.00           H  
HETATM   19  H7  UNL     1       2.432   0.432   0.259  1.00  0.00           H  
HETATM   20  H8  UNL     1       2.777  -1.205  -0.327  1.00  0.00           H  
HETATM   21  H9  UNL     1       2.148  -0.679   2.063  1.00  0.00           H  
CONECT    1    2   13   14   15
CONECT    2    3    3    9
CONECT    3    4
CONECT    4    5    5   16
CONECT    5    6    9
CONECT    6    7    7    8
CONECT    9   10
CONECT   10   11   17   18
CONECT   11   12   19   20
CONECT   12   21
END
Download

SMILES for HMDB0015052 (Metronidazole)

CC1=NC=C(N1CCO)[N+]([O-])=O
Download

INCHI for HMDB0015052 (Metronidazole)

InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
Chemical FormulaC6H9N3O3
Average Molecular Weight171.154
Monoisotopic Molecular Weight171.064391169
IUPAC Name2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-ol
Traditional Namemetronidazole
CAS Registry Number443-48-1
SMILES
CC1=NC=C(N1CCO)[N+]([O-])=O
InChI Identifier
InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3
InChI KeyVAOCPAMSLUNLGC-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as nitroimidazoles. Nitroimidazoles are compounds containing an imidazole ring which bears a nitro group.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzoles
Sub ClassImidazoles
Direct ParentNitroimidazoles
Alternative Parents
Substituents
  • 1,2,5-trisubstituted-imidazole
  • Nitroaromatic compound
  • Nitroimidazole
  • Trisubstituted imidazole
  • N-substituted imidazole
  • Heteroaromatic compound
  • Organic nitro compound
  • C-nitro compound
  • Alkanolamine
  • Azacycle
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Allyl-type 1,3-dipolar organic compound
  • Organic oxoazanium
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic zwitterion
  • Organic oxygen compound
  • Organic nitrogen compound
  • Alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point160 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility5.92 g/LNot Available
LogP-0.1Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+CBM132.430932474
[M+H]+Not Available130.38http://allccs.zhulab.cn/database/detail?ID=AllCCS00000933
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00916 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00916 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00916
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4029
KEGG Compound IDC07203
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMetronidazole
METLIN IDNot Available
PubChem Compound4173
PDB ID2MN
ChEBI ID6909
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Visapaa JP, Tillonen JS, Kaihovaara PS, Salaspuro MP: Lack of disulfiram-like reaction with metronidazole and ethanol. Ann Pharmacother. 2002 Jun;36(6):971-4. [PubMed:12022894 ]
  2. Williams CS, Woodcock KR: Do ethanol and metronidazole interact to produce a disulfiram-like reaction? Ann Pharmacother. 2000 Feb;34(2):255-7. [PubMed:10676835 ]
  3. Lamont RF: Can antibiotics prevent preterm birth--the pro and con debate. BJOG. 2005 Mar;112 Suppl 1:67-73. [PubMed:15715599 ]
  4. Shennan A, Crawshaw S, Briley A, Hawken J, Seed P, Jones G, Poston L: A randomised controlled trial of metronidazole for the prevention of preterm birth in women positive for cervicovaginal fetal fibronectin: the PREMET Study. BJOG. 2006 Jan;113(1):65-74. [PubMed:16398774 ]

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
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
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
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Enzyme Details
3. 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
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]