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

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ChEBI Name 2-methylthio-N6-(cis-4-hydroxy-Δ2-isopentenyl)adenosine
ChEBI ID CHEBI:62879
ChEBI ASCII Name 2-methylthio-N(6)-(cis-4-hydroxy-Delta(2)-isopentenyl)adenosine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H23N5O5S
Net Charge 0
Average Mass 397.44900
Monoisotopic Mass 397.14199
InChI InChI=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
InChIKey QEWSGVMSLPHELX-RFLXNSOUSA-N
SMILES CSc1nc(NC\C=C(\C)CO)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
ChEBI Ontology
Outgoing 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 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 Number Type Source
1232197 Reaxys Registry Number Reaxys
Last Modified
13 September 2011