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CHEBI:62879 - 2-methylthio-N6-(cis-4-hydroxy-Δ2-isopentenyl)adenosine

ChEBI IDCHEBI:62879
ChEBI Name2-methylthio-N6-(cis-4-hydroxy-Δ2-isopentenyl)adenosine
Stars
ASCII Name2-methylthio-N(6)-(cis-4-hydroxy-Delta(2)-isopentenyl)adenosine
DefinitionA nucleoside analogue in which adenosine has been modified by substitution at C-2 by a methylthio (methylsulfanyl) group and at the 6-amino nitrogen by a cis-4-hydroxy-Δ2-isopentenyl group.
Last Modified13 September 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H23N5O5S
Net Charge0
Average Mass397.457
Monoisotopic Mass397.14199
SMILESCSc1nc(NC/C=C(/C)CO)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/b8-3-/t9-,11-,12-,15-/m1/s1
InChIKeyQEWSGVMSLPHELX-RFLXNSOUSA-N
ChEBI Ontology
Outgoing Relation(s)
2-methylthio-N6-(cis-4-hydroxy-Δ2-isopentenyl)adenosine (CHEBI:62879) has functional parent adenosine (CHEBI:16335)
2-methylthio-N6-(cis-4-hydroxy-Δ2-isopentenyl)adenosine (CHEBI:62879) is a nucleoside analogue (CHEBI:60783)
Incoming Relation(s)
2-methylthio-N6-(cis-4-hydroxy-Δ2-isopentenyl)adenosine residue (CHEBI:62836) is substituent group from 2-methylthio-N6-(cis-4-hydroxy-Δ2-isopentenyl)adenosine (CHEBI:62879)
IUPAC Name 
N-[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]-2-(methylsulfanyl)adenosine
Registry NumbersSources
Reaxys:1232197Reaxys