CHEBI:64129 - epoxyqueuine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name epoxyqueuine
ChEBI ID CHEBI:64129
Definition An epoxide obtained by formal epoxidation of the double bond in the cyclohexene moiety of queuine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C12H15N5O4
Net Charge 0
Average Mass 293.27860
Monoisotopic Mass 293.11240
InChI InChI=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
InChIKey JSGKREWPBLKPCZ-OKNNCHMLSA-N
SMILES Nc1nc2[nH]cc(CN[C@@H]3[C@@H](O)[C@@H](O)[C@@H]4O[C@H]34)c2c(=O)[nH]1
ChEBI Ontology
Outgoing 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 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-deazaguanine ChEBI
Citations Waiting for Citations Types Sources
10810734 PubMed citation SUBMITTER
12731872 PubMed citation SUBMITTER
Last Modified
17 April 2014