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CHEBI:134512 - adefovir(1−)

ChEBI IDCHEBI:134512
ChEBI Nameadefovir(1−)
Stars
ASCII Nameadefovir(1-)
DefinitionA organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified24 October 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H11N5O4P
Net Charge-1
Average Mass272.181
Monoisotopic Mass272.05541
SMILESNc1ncnc2c1ncn2CCOCP(=O)([O-])O
InChIInChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)/p-1
InChIKeySUPKOOSCJHTBAH-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
adefovir(1−) (CHEBI:134512) is a organophosphonate oxoanion (CHEBI:59635)
adefovir(1−) (CHEBI:134512) is conjugate base of adefovir (CHEBI:2469)
Incoming Relation(s)
adefovir (CHEBI:2469) is conjugate acid of adefovir(1−) (CHEBI:134512)
IUPAC Name 
hydrogen {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate
UniProt Name  Source
adefovirUniProt
Citations