CHEBI:64112 - abacavir monophosphate

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ChEBI Name abacavir monophosphate
ChEBI ID CHEBI:64112
Definition The organic phosphate that is the 5'-monophosphate of abacavir.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H19N6O4P
Net Charge 0
Average Mass 366.31220
Monoisotopic Mass 366.12054
InChI InChI=1S/C14H19N6O4P/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-24-25(21,22)23/h1,4,7-10H,2-3,5-6H2,(H2,21,22,23)(H3,15,17,18,19)/t8-,10+/m1/s1
InChIKey YQBOXVWMECPEJS-SCZZXKLOSA-N
SMILES Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](COP(O)(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 monophosphate (CHEBI:64112) has functional parent abacavir (CHEBI:421707)
abacavir monophosphate (CHEBI:64112) has role metabolite (CHEBI:25212)
abacavir monophosphate (CHEBI:64112) is a 2,6-diaminopurines (CHEBI:38001)
abacavir monophosphate (CHEBI:64112) is a organic phosphate (CHEBI:25703)
IUPAC Name
{(1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methyl dihydrogen phosphate
Synonyms Sources
abacavir 5'-monophosphate ChEBI
abacavir 5'-phosphate ChEBI
abacavir phosphate ChEBI
Registry Number Type Source
8357356 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16513094 PubMed citation Europe PMC
Last Modified
07 March 2012