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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2022-03-07 02:51:51 UTC
HMDB IDHMDB0015078
Secondary Accession Numbers
  • HMDB15078
Metabolite Identification
Common NameZalcitabine
DescriptionA dideoxynucleoside compound in which the 3'-hydroxyl group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of 5' to 3' phosphodiester linkages, which are needed for the elongation of DNA chains, thus resulting in the termination of viral DNA growth. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy. [PubChem]
Structure
Data?1582753256
Synonyms
ValueSource
2',3'-DideoxycytidineChEBI
4-Amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-oneChEBI
DDCChEBI
DDCYDChEBI
DideoxycytidineChEBI
HividKegg
HIVID rocheHMDB
2',3' DideoxycytidineHMDB
Hoffman-la roche brand OF zalcitabineHMDB
Roche brand OF zalcitabineHMDB
DDC (Antiviral)HMDB
Chemical FormulaC9H13N3O3
Average Molecular Weight211.2178
Monoisotopic Molecular Weight211.095691297
IUPAC Name4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one
Traditional Namezalcitabine
CAS Registry Number7481-89-2
SMILES
NC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O1
InChI Identifier
InChI=1S/C9H13N3O3/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14)/t6-,8+/m0/s1
InChI KeyWREGKURFCTUGRC-POYBYMJQSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleosides. Pyrimidine 2',3'-dideoxyribonucleosides are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at positions 2 and 3.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleosides
Sub ClassPyrimidine 2',3'-dideoxyribonucleosides
Direct ParentPyrimidine 2',3'-dideoxyribonucleosides
Alternative Parents
Substituents
  • Pyrimidine 2',3'-dideoxyribonucleoside
  • Aminopyrimidine
  • Pyrimidone
  • Hydropyrimidine
  • Pyrimidine
  • Imidolactam
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Oxacycle
  • Azacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Alcohol
  • Amine
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Biological location

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point210 - 214 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility7.05 g/LNot Available
LogP-1.3Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility7.05 g/LALOGPS
logP-1.3ALOGPS
logP-1.2ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)14.67ChemAxon
pKa (Strongest Basic)0.18ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area88.15 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity52.24 m³·mol⁻¹ChemAxon
Polarizability20.86 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+147.5831661259
DarkChem[M-H]-145.56931661259
DeepCCS[M+H]+146.91830932474
DeepCCS[M-H]-144.52230932474
DeepCCS[M-2H]-177.61730932474
DeepCCS[M+Na]+152.90930932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
ZalcitabineNC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O13389.1Standard polar33892256
ZalcitabineNC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O12186.3Standard non polar33892256
ZalcitabineNC1=NC(=O)N(C=C1)[C@H]1CC[C@@H](CO)O12357.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Zalcitabine,1TMS,isomer #1C[Si](C)(C)OC[C@@H]1CC[C@H](N2C=CC(N)=NC2=O)O12141.1Semi standard non polar33892256
Zalcitabine,1TMS,isomer #2C[Si](C)(C)NC1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C12226.8Semi standard non polar33892256
Zalcitabine,2TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N([C@H]2CC[C@@H](CO[Si](C)(C)C)O2)C=C12203.7Semi standard non polar33892256
Zalcitabine,2TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N([C@H]2CC[C@@H](CO[Si](C)(C)C)O2)C=C12293.5Standard non polar33892256
Zalcitabine,2TMS,isomer #1C[Si](C)(C)NC1=NC(=O)N([C@H]2CC[C@@H](CO[Si](C)(C)C)O2)C=C13003.8Standard polar33892256
Zalcitabine,2TMS,isomer #2C[Si](C)(C)N(C1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1)[Si](C)(C)C2190.5Semi standard non polar33892256
Zalcitabine,2TMS,isomer #2C[Si](C)(C)N(C1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1)[Si](C)(C)C2350.5Standard non polar33892256
Zalcitabine,2TMS,isomer #2C[Si](C)(C)N(C1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1)[Si](C)(C)C3026.3Standard polar33892256
Zalcitabine,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1CC[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O12176.4Semi standard non polar33892256
Zalcitabine,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1CC[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O12377.7Standard non polar33892256
Zalcitabine,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1CC[C@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)O12666.1Standard polar33892256
Zalcitabine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](N2C=CC(N)=NC2=O)O12403.1Semi standard non polar33892256
Zalcitabine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C12473.4Semi standard non polar33892256
Zalcitabine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)C=C12658.7Semi standard non polar33892256
Zalcitabine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)C=C12724.4Standard non polar33892256
Zalcitabine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)C=C13091.9Standard polar33892256
Zalcitabine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1)[Si](C)(C)C(C)(C)C2615.6Semi standard non polar33892256
Zalcitabine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1)[Si](C)(C)C(C)(C)C2797.7Standard non polar33892256
Zalcitabine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@H]2CC[C@@H](CO)O2)C=C1)[Si](C)(C)C(C)(C)C3060.7Standard polar33892256
Zalcitabine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O12818.3Semi standard non polar33892256
Zalcitabine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O13011.3Standard non polar33892256
Zalcitabine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@H](N2C=CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=O)O12910.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Zalcitabine GC-MS (Non-derivatized) - 70eV, Positivesplash10-005c-9600000000-2b4de4867a39d5e3055b2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Zalcitabine GC-MS (1 TMS) - 70eV, Positivesplash10-00b9-9800000000-add2e4ce43f76aa313042017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Zalcitabine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , negative-QTOFsplash10-03di-0190000000-5d3365f648d5f5675ab92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , negative-QTOFsplash10-066r-2900000000-843d28df71eab94652c32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , negative-QTOFsplash10-0a4l-7900000000-628c9e8f6a131581a8d42017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , negative-QTOFsplash10-0006-9200000000-60a00651a71121843a192017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , negative-QTOFsplash10-0006-9000000000-237a0c1094225974a6e82017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , positive-QTOFsplash10-03di-0910000000-95a2a7845a54a61d7c152017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , positive-QTOFsplash10-03di-0900000000-345deba429b644c7b4f52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , positive-QTOFsplash10-03di-0900000000-6aaba2f2eeb001628ab22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , positive-QTOFsplash10-03di-5900000000-03b881f85c17ccbe52952017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-QQ , positive-QTOFsplash10-01ot-9300000000-2896ce7406bb834c001a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine LC-ESI-IT , positive-QTOFsplash10-03di-0900000000-056961b8bc40673465302017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Zalcitabine 35V, Positive-QTOFsplash10-03di-1900000000-1054737ea962191f8ea32021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 10V, Negative-QTOFsplash10-03di-1980000000-983fc19dcf0d0b85cef42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 20V, Negative-QTOFsplash10-014i-2900000000-0612e4906539771bd61a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 40V, Negative-QTOFsplash10-0006-9300000000-b05fd7cbb391f9d8d7552016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 10V, Negative-QTOFsplash10-03di-0490000000-57082a1867cdc2c9822a2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 20V, Negative-QTOFsplash10-01ox-9600000000-f474e998724df983de8c2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 40V, Negative-QTOFsplash10-0006-9300000000-20ef263f8c644fd3e58e2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 10V, Positive-QTOFsplash10-03di-0900000000-eaacef912c49eac355062016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 20V, Positive-QTOFsplash10-03di-4900000000-0712eb98271c7def7fa62016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 40V, Positive-QTOFsplash10-0292-9300000000-b5ae4987aabc3d08e09b2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 10V, Positive-QTOFsplash10-03di-0900000000-fa8c6be751e9c08c099b2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 20V, Positive-QTOFsplash10-03di-3900000000-acfad49c533143abebc12021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Zalcitabine 40V, Positive-QTOFsplash10-014i-9100000000-9b080034478e10638d8e2021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00943 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00943 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 IDDB00943
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID22498
KEGG Compound IDC07207
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkZalcitabine
METLIN IDNot Available
PubChem Compound24066
PDB IDNot Available
ChEBI ID10101
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. Devineni D, Gallo JM: Zalcitabine. Clinical pharmacokinetics and efficacy. Clin Pharmacokinet. 1995 May;28(5):351-60. [PubMed:7614775 ]
  2. Shelton MJ, O'Donnell AM, Morse GD: Zalcitabine. Ann Pharmacother. 1993 Apr;27(4):480-9. [PubMed:8097417 ]

Enzymes

General function:
Involved in ATP binding
Specific function:
Required for the phosphorylation of the deoxyribonucleosides deoxycytidine (dC), deoxyguanosine (dG) and deoxyadenosine (dA). Has broad substrate specificity, and does not display selectivity based on the chirality of the substrate. It is also an essential enzyme for the phosphorylation of numerous nucleoside analogs widely employed as antiviral and chemotherapeutic agents.
Gene Name:
DCK
Uniprot ID:
P27707
Molecular weight:
30518.315
References
  1. Rossi L, Serafini S, Schiavano GF, Casabianca A, Vallanti G, Chiarantini L, Magnani M: Metabolism, mitochondrial uptake and toxicity of 2', 3'-dideoxycytidine. Biochem J. 1999 Dec 15;344 Pt 3:915-20. [PubMed:10585881 ]
  2. Kitos TE, Tyrrell DL: Intracellular metabolism of 2',3'-dideoxynucleosides in duck hepatocyte primary cultures. Biochem Pharmacol. 1995 May 11;49(9):1291-302. [PubMed:7763311 ]
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 ]
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 ]
General function:
Involved in monooxygenase activity
Specific function:
Exhibits low testosterone 6-beta-hydroxylase activity.
Gene Name:
CYP3A43
Uniprot ID:
Q9HB55
Molecular weight:
57756.285
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 ]
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
  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 ]
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
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 ]
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
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 ]

Transporters

General function:
Involved in ion transmembrane transporter activity
Specific function:
Involved in the renal elimination of endogenous and exogenous organic anions. Functions as organic anion exchanger when the uptake of one molecule of organic anion is coupled with an efflux of one molecule of endogenous dicarboxylic acid (glutarate, ketoglutarate, etc). Mediates the sodium-independent uptake of 2,3-dimercapto-1-propanesulfonic acid (DMPS). Mediates the sodium-independent uptake of p- aminohippurate (PAH), ochratoxin (OTA), acyclovir (ACV), 3'-azido- 3-'deoxythymidine (AZT), cimetidine (CMD), 2,4-dichloro- phenoxyacetate (2,4-D), hippurate (HA), indoleacetate (IA), indoxyl sulfate (IS) and 3-carboxy-4-methyl-5-propyl-2- furanpropionate (CMPF), cidofovir, adefovir, 9-(2- phosphonylmethoxyethyl) guanine (PMEG), 9-(2- phosphonylmethoxyethyl) diaminopurine (PMEDAP) and edaravone sulfate. PAH uptake is inhibited by p- chloromercuribenzenesulphonate (PCMBS), diethyl pyrocarbonate (DEPC), sulindac, diclofenac, carprofen, glutarate and okadaic acid. PAH uptake is inhibited by benzothiazolylcysteine (BTC), S-chlorotrifluoroethylcysteine (CTFC), cysteine S-conjugates S-dichlorovinylcysteine (DCVC), furosemide, steviol, phorbol 12-myristate 13-acetate (PMA), calcium ionophore A23187, benzylpenicillin, furosemide, indomethacin, bumetamide, losartan, probenecid, phenol red, urate, and alpha-ketoglutarate
Gene Name:
SLC22A6
Uniprot ID:
Q4U2R8
Molecular weight:
61815.8
References
  1. Wada S, Tsuda M, Sekine T, Cha SH, Kimura M, Kanai Y, Endou H: Rat multispecific organic anion transporter 1 (rOAT1) transports zidovudine, acyclovir, and other antiviral nucleoside analogs. J Pharmacol Exp Ther. 2000 Sep;294(3):844-9. [PubMed:10945832 ]
General function:
Involved in transmembrane transport
Specific function:
Mediates sodium-independent multispecific organic anion transport. Transport of prostaglandin E2, prostaglandin F2, tetracycline, bumetanide, estrone sulfate, glutarate, dehydroepiandrosterone sulfate, allopurinol, 5-fluorouracil, paclitaxel, L-ascorbic acid, salicylate, ethotrexate, and alpha- ketoglutarate
Gene Name:
SLC22A7
Uniprot ID:
Q9Y694
Molecular weight:
60025.0
References
  1. Morita N, Kusuhara H, Sekine T, Endou H, Sugiyama Y: Functional characterization of rat organic anion transporter 2 in LLC-PK1 cells. J Pharmacol Exp Ther. 2001 Sep;298(3):1179-84. [PubMed:11504818 ]