2-methylthio-N(6)-dimethylallyladenine 5'-monophosphate (CHEBI:74646)

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CHEBI:74646 - 2-methylthio-N⁶-dimethylallyladenine 5'-monophosphate

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ChEBI ID	CHEBI:74646
ChEBI Name	2-methylthio-N⁶-dimethylallyladenine 5'-monophosphate
Stars
ASCII Name	2-methylthio-N(6)-dimethylallyladenine 5'-monophosphate
Definition	A purine ribonucleoside 5'-monophosphate that is AMP substituted at C-2 by a methylthio group and at N-6 by a dimethylallyl group.
Last Modified	25 November 2019
Submitter	Steve
Downloads	Molfile

Formula	C16H24N5O7PS
Net Charge	0
Average Mass	461.437
Monoisotopic Mass	461.11341
SMILES	CSc1nc(NCC=C(C)C)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
InChI	InChI=1S/C16H24N5O7PS/c1-8(2)4-5-17-13-10-14(20-16(19-13)30-3)21(7-18-10)15-12(23)11(22)9(28-15)6-27-29(24,25)26/h4,7,9,11-12,15,22-23H,5-6H2,1-3H3,(H,17,19,20)(H2,24,25,26)/t9-,11-,12-,15-/m1/s1
InChIKey	XBXAAXAANNIENQ-SDBHATRESA-N

ChEBI Ontology

Outgoing Relation(s)
	2-methylthio-N⁶-dimethylallyladenine 5'-monophosphate (CHEBI:74646) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
	2-methylthio-N⁶-dimethylallyladenine 5'-monophosphate (CHEBI:74646) is a aryl sulfide (CHEBI:35683)
	2-methylthio-N⁶-dimethylallyladenine 5'-monophosphate (CHEBI:74646) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
Incoming Relation(s)
	2-methylthio-N⁶-dimethylallyladenine 5'-monophosphate residue (CHEBI:74645) is substituent group from 2-methylthio-N⁶-dimethylallyladenine 5'-monophosphate (CHEBI:74646)

IUPAC Name
N-(3-methylbut-2-en-1-yl)-2-(methylsulfanyl)adenosine 5'-(dihydrogen phosphate)

Synonyms	Source
2-methylthio-N⁶-dimethylallyl 5'-adenylic acid	ChEBI
2-methylthio-N⁶-(Δ²-isopentenyl)-5'-adenylic acid	ChEBI
2-methylthio-N⁶-(Δ²-isopentenyl)adenosine 5'-monophosphate	ChEBI

Manual Xrefs	Databases
MIA	PDBeChem