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CHEBI:77674 - queuine(1+)

ChEBI IDCHEBI:77674
ChEBI Namequeuine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of queuine, obtained by protonation of the secondary amino group; major species at pH 7.3.
Last Modified23 February 2023
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H16N5O3
Net Charge+1
Average Mass278.292
Monoisotopic Mass278.12477
SMILESNc1nc(=O)c2c(C[NH2+][C@H]3C=C[C@H](O)[C@@H]3O)cnc2n1
InChIInChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/p+1/t6-,7-,9+/m0/s1
InChIKeyWYROLENTHWJFLR-ACLDMZEESA-O
ChEBI Ontology
Outgoing Relation(s)
queuine(1+) (CHEBI:77674) is a ammonium ion derivative (CHEBI:35274)
queuine(1+) (CHEBI:77674) is a organic cation (CHEBI:25697)
queuine(1+) (CHEBI:77674) is conjugate acid of queuine (CHEBI:17433)
Incoming Relation(s)
queuine (CHEBI:17433) is conjugate base of queuine(1+) (CHEBI:77674)
IUPAC Name 
(1S,4S,5R)-N-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-4,5-dihydroxycyclopent-2-en-1-aminium