2-methylthio-N(6)-(Delta(2)-isopentenyl)adenosine (CHEBI:62875)

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CHEBI:62875 - 2-methylthio-N⁶-(Δ²-isopentenyl)adenosine

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ChEBI ID	CHEBI:62875
ChEBI Name	2-methylthio-N⁶-(Δ²-isopentenyl)adenosine
Stars
ASCII Name	2-methylthio-N(6)-(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 Δ²-isopentenyl group.
Last Modified	26 March 2012
Downloads	Molfile

Formula	C16H23N5O4S
Net Charge	0
Average Mass	381.458
Monoisotopic Mass	381.14708
SMILES	CSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChI	InChI=1S/C16H23N5O4S/c1-8(2)4-5-17-13-10-14(20-16(19-13)26-3)21(7-18-10)15-12(24)11(23)9(6-22)25-15/h4,7,9,11-12,15,22-24H,5-6H2,1-3H3,(H,17,19,20)/t9-,11-,12-,15-/m1/s1
InChIKey	VZQXUWKZDSEQRR-SDBHATRESA-N

ChEBI Ontology

Outgoing Relation(s)
	2-methylthio-N⁶-(Δ²-isopentenyl)adenosine (CHEBI:62875) has functional parent adenosine (CHEBI:16335)
	2-methylthio-N⁶-(Δ²-isopentenyl)adenosine (CHEBI:62875) is a nucleoside analogue (CHEBI:60783)
Incoming Relation(s)
	2-methylthio-N⁶-(Δ²-isopentenyl)adenosine residue (CHEBI:62866) is substituent group from 2-methylthio-N⁶-(Δ²-isopentenyl)adenosine (CHEBI:62875)

IUPAC Name
N-(3-methylbut-2-en-1-yl)-2-(methylsulfanyl)adenosine

Synonyms	Source
2-Methylthio-N-6-isopentenyladenosine	ChemIDplus
2-Methylthio-N(6)-isopentenyladenosine	ChemIDplus
2-Methyl-thio-N-6-isopentyladenosine	ChemIDplus
2-Mtia	ChemIDplus
ms2i6a	ChEBI
N(6)-(delta(2)-Isopentenyl)-2-methylthioadenosine	ChemIDplus

Registry Numbers	Sources
Reaxys:1231165	Reaxys
CAS:20859-00-1	ChemIDplus