EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:64129 - epoxyqueuine

ChEBI IDCHEBI:64129
ChEBI Nameepoxyqueuine
Stars
DefinitionAn epoxide obtained by formal epoxidation of the double bond in the cyclohexene moiety of queuine.
Last Modified17 April 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H15N5O4
Net Charge0
Average Mass293.283
Monoisotopic Mass293.11240
SMILESNc1nc(=O)c2c(CN[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)/t5-,6-,7-,8-,9+/m1/s1
InChIKeyJSGKREWPBLKPCZ-OKNNCHMLSA-N
ChEBI Ontology
Outgoing Relation(s)
epoxyqueuine (CHEBI:64129) has functional parent queuine (CHEBI:17433)
epoxyqueuine (CHEBI:64129) is a epoxide (CHEBI:32955)
epoxyqueuine (CHEBI:64129) is a pyrrolopyrimidine (CHEBI:38670)
epoxyqueuine (CHEBI:64129) is conjugate base of epoxyqueuine(1+) (CHEBI:77675)
Incoming Relation(s)
epoxyqueuine(1+) (CHEBI:77675) is conjugate acid of epoxyqueuine (CHEBI:64129)
IUPAC Name 
2-amino-5-({[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hex-2-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
Synonym  Source
7-(5-[(3,4-epoxy-2,5-dihydroxycyclopent-1-yl)amino]methyl)-7-deazaguanineChEBI
Citations