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CHEBI:134514 - cidofovir(1−)

Default Structure
ChEBI IDCHEBI:134514
ChEBI Namecidofovir(1−)
Stars
ASCII Namecidofovir(1-)
DefinitionA organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of cidofovir. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified9 May 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC8H13N3O6P
Net Charge-1
Average Mass278.181
Monoisotopic Mass278.05475
SMILESNc1ccn(C[C@@H](CO)OCP(=O)([O-])O)c(=O)n1
InChIInChI=1S/C8H14N3O6P/c9-7-1-2-11(8(13)10-7)3-6(4-12)17-5-18(14,15)16/h1-2,6,12H,3-5H2,(H2,9,10,13)(H2,14,15,16)/p-1/t6-/m0/s1
InChIKeyVWFCHDSQECPREK-LURJTMIESA-M
ChEBI Ontology
Outgoing Relation(s)
cidofovir(1−) (CHEBI:134514) is a organophosphonate oxoanion (CHEBI:59635)
cidofovir(1−) (CHEBI:134514) is conjugate acid of cidofovir(2−) (CHEBI:530615)
cidofovir(1−) (CHEBI:134514) is conjugate base of cidofovir anhydrous (CHEBI:3696)
Incoming Relation(s)
cidofovir anhydrous (CHEBI:3696) is conjugate acid of cidofovir(1−) (CHEBI:134514)
cidofovir(2−) (CHEBI:530615) is conjugate base of cidofovir(1−) (CHEBI:134514)
Synonym  Source
hydrogen ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonateChEBI
UniProt Name  Source
cidofovirUniProt
Citations