CHEBI:64189 - abacavir 5'-glucuronide

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ChEBI Name abacavir 5'-glucuronide
ChEBI ID CHEBI:64189
Definition A glucosiduronic acid derivative formed by linkage of β-D-glucosiduronic acid with the 5'-oxygen of abacavir. One of the two major metabolites of abacavir in humans (the other is the 5'-carboxylic acid, CHEBI:64192).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H26N6O7
Net Charge 0
Average Mass 462.45640
Monoisotopic Mass 462.18630
InChI InChI=1S/C20H26N6O7/c21-20-24-16(23-9-2-3-9)11-17(25-20)26(7-22-11)10-4-1-8(5-10)6-32-19-14(29)12(27)13(28)15(33-19)18(30)31/h1,4,7-10,12-15,19,27-29H,2-3,5-6H2,(H,30,31)(H3,21,23,24,25)/t8-,10+,12+,13+,14-,15+,19-/m1/s1
InChIKey WGTDUQBKKUUVMK-OLMRCODSSA-N
SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3)c2n1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing abacavir 5'-glucuronide (CHEBI:64189) has functional parent abacavir (CHEBI:421707)
abacavir 5'-glucuronide (CHEBI:64189) has role metabolite (CHEBI:25212)
abacavir 5'-glucuronide (CHEBI:64189) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methyl β-D-glucopyranosiduronic acid
Synonyms Sources
361W ChEBI
abacavir 5'-glucosiduronic acid ChEBI
abacavir glucosiduronic acid ChEBI
abacavir glucuronide ChEBI
Citation Waiting for Citations Type Source
11678376 PubMed citation Europe PMC
Last Modified
15 March 2012