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CHEBI:64112 - abacavir monophosphate

ChEBI IDCHEBI:64112
ChEBI Nameabacavir monophosphate
Stars
DefinitionThe organic phosphate that is the 5'-monophosphate of abacavir.
Last Modified7 March 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H19N6O4P
Net Charge0
Average Mass366.318
Monoisotopic Mass366.12054
SMILESNc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](COP(=O)(O)O)C3)c2n1
InChIInChI=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
InChIKeyYQBOXVWMECPEJS-SCZZXKLOSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
abacavir 5'-monophosphateChEBI
abacavir phosphateChEBI
abacavir 5'-phosphateChEBI
Registry NumbersSources
Reaxys:8357356Reaxys
Citations