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CHEBI:74643 - 2-thio-N6-dimethylallyladenine 5'-monophosphate

ChEBI IDCHEBI:74643
ChEBI Name2-thio-N6-dimethylallyladenine 5'-monophosphate
Stars
ASCII Name2-thio-N(6)-dimethylallyladenine 5'-monophosphate
DefinitionA purine ribonucleoside 5'-monophosphate that is AMP substituted at C-2 by a thio group and at N-6 by a dimethylallyl group.
Last Modified18 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC15H22N5O7PS
Net Charge0
Average Mass447.410
Monoisotopic Mass447.09776
SMILESCC(C)=CCNc1nc(S)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H22N5O7PS/c1-7(2)3-4-16-12-9-13(19-15(29)18-12)20(6-17-9)14-11(22)10(21)8(27-14)5-26-28(23,24)25/h3,6,8,10-11,14,21-22H,4-5H2,1-2H3,(H2,23,24,25)(H2,16,18,19,29)/t8-,10-,11-,14-/m1/s1
InChIKeyROIFQUFJBJMXGF-IDTAVKCVSA-N
ChEBI Ontology
Outgoing Relation(s)
2-thio-N6-dimethylallyladenine 5'-monophosphate (CHEBI:74643) has functional parent adenosine 5'-monophosphate (CHEBI:16027)
2-thio-N6-dimethylallyladenine 5'-monophosphate (CHEBI:74643) is a aryl thiol (CHEBI:82711)
2-thio-N6-dimethylallyladenine 5'-monophosphate (CHEBI:74643) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
Incoming Relation(s)
2-thio-N6-dimethylallyladenine 5'-monophosphate residue (CHEBI:74642) is substituent group from 2-thio-N6-dimethylallyladenine 5'-monophosphate (CHEBI:74643)
IUPAC Name 
N-(3-methylbut-2-en-1-yl)-2-sulfanyladenosine 5'-(dihydrogen phosphate)
Synonyms  Source
2-thio-N6-dimethylallyl 5'-adenylic acidChEBI
2-thio-N6-(Δ2-isopentenyl)adenosine 5'-monophosphateChEBI
2-thio-N6-(Δ2-isopentenyl)-5'-adenylic acidChEBI