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

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ChEBI Name 2-thio-N6-dimethylallyladenine 5'-monophosphate
ChEBI ID CHEBI:74643
ChEBI ASCII Name 2-thio-N(6)-dimethylallyladenine 5'-monophosphate
Definition A purine ribonucleoside 5'-monophosphate that is AMP substituted at C-2 by a thio group and at N-6 by a dimethylallyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H22N5O7PS
Net Charge 0
Average Mass 447.40300
Monoisotopic Mass 447.09776
InChI InChI=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
InChIKey ROIFQUFJBJMXGF-IDTAVKCVSA-N
SMILES CC(C)=CCNc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
ChEBI Ontology
Outgoing 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 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 Sources
2-thio-N6-(Δ2-isopentenyl)-5'-adenylic acid ChEBI
2-thio-N6-(Δ2-isopentenyl)adenosine 5'-monophosphate ChEBI
2-thio-N6-dimethylallyl 5'-adenylic acid ChEBI
Last Modified
18 August 2014