EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77675 - epoxyqueuine(1+)

ChEBI IDCHEBI:77675
ChEBI Nameepoxyqueuine(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of epoxyqueuine, obtained by protonation of the secondary amino group; major species at pH 7.3.
Last Modified17 April 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC12H16N5O4
Net Charge+1
Average Mass294.291
Monoisotopic Mass294.11968
SMILESNc1nc(=O)c2c(C[NH2+][C@@H]3[C@@H](O)[C@@H](O)[C@@H]4O[C@H]34)cnc2n1
InChIInChI=1S/C12H15N5O4/c13-12-16-10-4(11(20)17-12)3(2-15-10)1-14-5-6(18)7(19)9-8(5)21-9/h2,5-9,14,18-19H,1H2,(H4,13,15,16,17,20)/p+1/t5-,6-,7-,8-,9+/m1/s1
InChIKeyJSGKREWPBLKPCZ-OKNNCHMLSA-O
ChEBI Ontology
Outgoing Relation(s)
epoxyqueuine(1+) (CHEBI:77675) is a ammonium ion derivative (CHEBI:35274)
epoxyqueuine(1+) (CHEBI:77675) is a organic cation (CHEBI:25697)
epoxyqueuine(1+) (CHEBI:77675) is conjugate acid of epoxyqueuine (CHEBI:64129)
Incoming Relation(s)
epoxyqueuine (CHEBI:64129) is conjugate base of epoxyqueuine(1+) (CHEBI:77675)
IUPAC Name 
(1R,2R,3R,4R,5S)-N-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-aminium
UniProt Name  Source
epoxyqueuineUniProt