Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2022-03-07 02:51:53 UTC
HMDB IDHMDB0015182
Secondary Accession Numbers
  • HMDB15182
Metabolite Identification
Common NameAbacavir
DescriptionAbacavir is only found in individuals that have used or taken this drug. It is a powerful nucleoside analog reverse transcriptase inhibitor (NRTI) used to treat HIV and AIDS. [Wikipedia ]Abacavir is a carbocyclic synthetic nucleoside analogue. Intracellularly, abacavir is converted by cellular enzymes to the active metabolite carbovir triphosphate, an analogue of deoxyguanosine-5'-triphosphate (dGTP). Carbovir triphosphate inhibits the activity of HIV-1 reverse transcriptase (RT) both by competing with the natural substrate dGTP and by its incorporation into viral DNA.
Structure
Data?1582753267
Synonyms
ValueSource
ABCChEBI
{(1S-cis)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanolChEBI
(1S,4R)-4-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopentene-1-methanolHMDB
Abacavir succinateHMDB
ZiagenHMDB
Abacavir sulfateHMDB
Chemical FormulaC14H18N6O
Average Molecular Weight286.3323
Monoisotopic Molecular Weight286.154209228
IUPAC Name[(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl]methanol
Traditional Nameabacavir
CAS Registry Number136470-78-5
SMILES
NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1
InChI Identifier
InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1
InChI KeyMCGSCOLBFJQGHM-SCZZXKLOSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1,3-substituted cyclopentyl purine nucleosides. These are nucleoside analogues with a structure that consists of a cyclobutane that is substituted a the 1-position with a hydroxyl group and at the 3-position with either a purine base.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassNucleoside and nucleotide analogues
Sub ClassCyclopentyl nucleosides
Direct Parent1,3-substituted cyclopentyl purine nucleosides
Alternative Parents
Substituents
  • 1,3-substituted cyclopentyl purine nucleoside
  • 6-alkylaminopurine
  • 6-aminopurine
  • Imidazopyrimidine
  • Purine
  • Aminopyrimidine
  • Secondary aliphatic/aromatic amine
  • N-substituted imidazole
  • Pyrimidine
  • Imidolactam
  • Heteroaromatic compound
  • Azole
  • Imidazole
  • Secondary amine
  • Organoheterocyclic compound
  • Azacycle
  • Amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Primary alcohol
  • Primary amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point165 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.21 g/LNot Available
LogP1.1Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.21 g/LALOGPS
logP0.61ALOGPS
logP0.39ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)15.41ChemAxon
pKa (Strongest Basic)5.77ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area101.88 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity82.62 m³·mol⁻¹ChemAxon
Polarizability30.43 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+168.62431661259
DarkChem[M-H]-165.96131661259
DeepCCS[M+H]+165.14130932474
DeepCCS[M-H]-162.78330932474
DeepCCS[M-2H]-196.6730932474
DeepCCS[M+Na]+171.89830932474
AllCCS[M+H]+169.932859911
AllCCS[M+H-H2O]+166.732859911
AllCCS[M+NH4]+172.932859911
AllCCS[M+Na]+173.832859911
AllCCS[M-H]-169.132859911
AllCCS[M+Na-2H]-168.632859911
AllCCS[M+HCOO]-168.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
AbacavirNC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N13516.5Standard polar33892256
AbacavirNC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N12845.9Standard non polar33892256
AbacavirNC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N12955.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Abacavir,1TMS,isomer #1C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(NC4CC4)N=C(N)N=C32)C12972.2Semi standard non polar33892256
Abacavir,1TMS,isomer #2C[Si](C)(C)NC1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N13025.3Semi standard non polar33892256
Abacavir,1TMS,isomer #3C[Si](C)(C)N(C1=NC(N)=NC2=C1N=CN2[C@H]1C=C[C@@H](CO)C1)C1CC12861.3Semi standard non polar33892256
Abacavir,2TMS,isomer #1C[Si](C)(C)NC1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C)C3)C2=N12933.3Semi standard non polar33892256
Abacavir,2TMS,isomer #1C[Si](C)(C)NC1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C)C3)C2=N12821.1Standard non polar33892256
Abacavir,2TMS,isomer #1C[Si](C)(C)NC1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C)C3)C2=N14197.6Standard polar33892256
Abacavir,2TMS,isomer #2C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C)N=C(N)N=C32)C12833.1Semi standard non polar33892256
Abacavir,2TMS,isomer #2C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C)N=C(N)N=C32)C12820.4Standard non polar33892256
Abacavir,2TMS,isomer #2C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C)N=C(N)N=C32)C14034.4Standard polar33892256
Abacavir,2TMS,isomer #3C[Si](C)(C)N(C1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N1)[Si](C)(C)C2921.6Semi standard non polar33892256
Abacavir,2TMS,isomer #3C[Si](C)(C)N(C1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N1)[Si](C)(C)C3046.9Standard non polar33892256
Abacavir,2TMS,isomer #3C[Si](C)(C)N(C1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N1)[Si](C)(C)C4451.0Standard polar33892256
Abacavir,2TMS,isomer #4C[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N12910.4Semi standard non polar33892256
Abacavir,2TMS,isomer #4C[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N12980.7Standard non polar33892256
Abacavir,2TMS,isomer #4C[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N14332.8Standard polar33892256
Abacavir,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(NC4CC4)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C32)C12898.0Semi standard non polar33892256
Abacavir,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(NC4CC4)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C32)C12998.3Standard non polar33892256
Abacavir,3TMS,isomer #1C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(NC4CC4)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C32)C13937.1Standard polar33892256
Abacavir,3TMS,isomer #2C[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C)C3)C2=N12883.2Semi standard non polar33892256
Abacavir,3TMS,isomer #2C[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C)C3)C2=N12939.7Standard non polar33892256
Abacavir,3TMS,isomer #2C[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C)C3)C2=N13808.0Standard polar33892256
Abacavir,3TMS,isomer #3C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C=C[C@@H](CO)C1)C1CC12887.2Semi standard non polar33892256
Abacavir,3TMS,isomer #3C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C=C[C@@H](CO)C1)C1CC13143.0Standard non polar33892256
Abacavir,3TMS,isomer #3C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=C1N=CN2[C@H]1C=C[C@@H](CO)C1)C1CC14032.2Standard polar33892256
Abacavir,4TMS,isomer #1C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C32)C12907.4Semi standard non polar33892256
Abacavir,4TMS,isomer #1C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C32)C13091.1Standard non polar33892256
Abacavir,4TMS,isomer #1C[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C32)C13554.0Standard polar33892256
Abacavir,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(NC4CC4)N=C(N)N=C32)C13190.6Semi standard non polar33892256
Abacavir,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N13214.0Semi standard non polar33892256
Abacavir,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC2=C1N=CN2[C@H]1C=C[C@@H](CO)C1)C1CC13063.0Semi standard non polar33892256
Abacavir,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C3)C2=N13297.0Semi standard non polar33892256
Abacavir,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C3)C2=N13306.0Standard non polar33892256
Abacavir,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C3)C2=N14240.0Standard polar33892256
Abacavir,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C(C)(C)C)N=C(N)N=C32)C13195.9Semi standard non polar33892256
Abacavir,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C(C)(C)C)N=C(N)N=C32)C13308.0Standard non polar33892256
Abacavir,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C(C)(C)C)N=C(N)N=C32)C14088.9Standard polar33892256
Abacavir,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N1)[Si](C)(C)C(C)(C)C3335.9Semi standard non polar33892256
Abacavir,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N1)[Si](C)(C)C(C)(C)C3516.9Standard non polar33892256
Abacavir,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(NC2CC2)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N1)[Si](C)(C)C(C)(C)C4431.7Standard polar33892256
Abacavir,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N13275.1Semi standard non polar33892256
Abacavir,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N13499.3Standard non polar33892256
Abacavir,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO)C3)C2=N14315.8Standard polar33892256
Abacavir,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(NC4CC4)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C32)C13455.4Semi standard non polar33892256
Abacavir,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(NC4CC4)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C32)C13688.8Standard non polar33892256
Abacavir,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(NC4CC4)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C32)C14035.1Standard polar33892256
Abacavir,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C3)C2=N13398.5Semi standard non polar33892256
Abacavir,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C3)C2=N13648.6Standard non polar33892256
Abacavir,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N(C2CC2)[Si](C)(C)C(C)(C)C)=C2N=CN([C@H]3C=C[C@@H](CO[Si](C)(C)C(C)(C)C)C3)C2=N13927.7Standard polar33892256
Abacavir,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C=C[C@@H](CO)C1)C1CC13442.0Semi standard non polar33892256
Abacavir,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C=C[C@@H](CO)C1)C1CC13833.7Standard non polar33892256
Abacavir,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC2=C1N=CN2[C@H]1C=C[C@@H](CO)C1)C1CC14056.9Standard polar33892256
Abacavir,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C(C)(C)C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C32)C13585.5Semi standard non polar33892256
Abacavir,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C(C)(C)C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C32)C13924.1Standard non polar33892256
Abacavir,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H]1C=C[C@H](N2C=NC3=C(N(C4CC4)[Si](C)(C)C(C)(C)C)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C32)C13760.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Abacavir GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-4290000000-ff09f3896a50abd46e5c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Abacavir GC-MS (1 TMS) - 70eV, Positivesplash10-0005-9257000000-21b4bbc1ab23c07507d62017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Abacavir GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 10V, Positive-QTOFsplash10-00kr-0090000000-0946b359f044edc1eaa72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 20V, Positive-QTOFsplash10-014i-2190000000-64675b2273332e37f39a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 40V, Positive-QTOFsplash10-0006-9410000000-d05153b2e67c168956b22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 10V, Negative-QTOFsplash10-000i-0090000000-2944c593361dbd76b6142016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 20V, Negative-QTOFsplash10-052r-2390000000-06a2fd880fff3ed2e2682016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 40V, Negative-QTOFsplash10-0a4i-9630000000-7c461fd855fa0cc2d7b12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 10V, Positive-QTOFsplash10-000l-0790000000-368d898ea37a7e409e6e2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 20V, Positive-QTOFsplash10-0006-0900000000-fcb41525305a5be74f3a2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 40V, Positive-QTOFsplash10-0udi-0920000000-ce3e8f7641b3326563562021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 10V, Negative-QTOFsplash10-000i-0090000000-e97d53ff96d49e16f45a2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 20V, Negative-QTOFsplash10-000i-0190000000-992655fbf9c97b5fcce12021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Abacavir 40V, Negative-QTOFsplash10-0002-0930000000-f24bb2b6a90e0a5559a12021-10-11Wishart 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 DB01048 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01048 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01048
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID390063
KEGG Compound IDC07624
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAbacavir
METLIN IDNot Available
PubChem Compound441300
PDB IDNot Available
ChEBI ID421707
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. Zucman D, Truchis Pd, Majerholc C, Stegman S, Caillat-Zucman S: Prospective screening for human leukocyte antigen-B*5701 avoids abacavir hypersensitivity reaction in the ethnically mixed French HIV population. J Acquir Immune Defic Syndr. 2007 May 1;45(1):1-3. [PubMed:17356469 ]
  2. (). FDA label . .
  3. PharmGKB [Link]

Enzymes

General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
References
  1. Yuen GJ, Weller S, Pakes GE: A review of the pharmacokinetics of abacavir. Clin Pharmacokinet. 2008;47(6):351-71. [PubMed:18479171 ]
General function:
Involved in zinc ion binding
Specific function:
Not Available
Gene Name:
ADH6
Uniprot ID:
P28332
Molecular weight:
39072.275
References
  1. Yuen GJ, Weller S, Pakes GE: A review of the pharmacokinetics of abacavir. Clin Pharmacokinet. 2008;47(6):351-71. [PubMed:18479171 ]