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CHEBI:90927 - tenofovir alafenamide(1+)

ChEBI IDCHEBI:90927
ChEBI Nametenofovir alafenamide(1+)
Stars
DefinitionAn organic cation obtained by protonation of the exocyclic amino group of tenofovir alafenamide.
Last Modified13 January 2016
SubmitterSteve
DownloadsMolfile
FormulaC21H30N6O5P
Net Charge+1
Average Mass477.482
Monoisotopic Mass477.20098
SMILESCC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c([NH3+])ncnc21)Oc1ccccc1
InChIInChI=1S/C21H29N6O5P/c1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27/h5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24)/p+1/t15-,16+,33+/m1/s1
InChIKeyLDEKQSIMHVQZJK-CAQYMETFSA-O
ChEBI Ontology
Outgoing Relation(s)
tenofovir alafenamide(1+) (CHEBI:90927) is a ammonium ion derivative (CHEBI:35274)
tenofovir alafenamide(1+) (CHEBI:90927) is a organic cation (CHEBI:25697)
tenofovir alafenamide(1+) (CHEBI:90927) is conjugate acid of tenofovir alafenamide (CHEBI:90926)
Incoming Relation(s)
tenofovir alafenamide fumarate (CHEBI:90923) has part tenofovir alafenamide(1+) (CHEBI:90927)
tenofovir alafenamide (CHEBI:90926) is conjugate base of tenofovir alafenamide(1+) (CHEBI:90927)
Synonym  Source
tenofovir alafenamide cationChEBI