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

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ChEBI Name 2-methylthio-N6-dimethylallyladenine 5'-monophosphate
ChEBI ID CHEBI:74646
ChEBI 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H24N5O7PS
Net Charge 0
Average Mass 461.430
Monoisotopic Mass 461.11341
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
SMILES N(C1=NC(=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)SC)CC=C(C)C
ChEBI Ontology
Outgoing 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 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 Sources
2-methylthio-N6-(Δ2-isopentenyl)-5'-adenylic acid ChEBI
2-methylthio-N6-(Δ2-isopentenyl)adenosine 5'-monophosphate ChEBI
2-methylthio-N6-dimethylallyl 5'-adenylic acid ChEBI
Manual Xref Database
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Last Modified
25 November 2019