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CHEBI:71678 - N6-(dimethylallyl)adenosine 5'-diphosphate

Default Structure
ChEBI IDCHEBI:71678
ChEBI NameN6-(dimethylallyl)adenosine 5'-diphosphate
Stars
ASCII NameN(6)-(dimethylallyl)adenosine 5'-diphosphate
DefinitionA purine ribonucleoside 5'-diphosphate that is ADP substituted at position N-6 by a dimethylallyl (isopentenyl) group.
Last Modified8 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC15H23N5O10P2
Net Charge0
Average Mass495.322
Monoisotopic Mass495.09202
SMILESCC(C)=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C15H23N5O10P2/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(29-15)5-28-32(26,27)30-31(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,16,17,18)(H2,23,24,25)/t9-,11-,12-,15-/m1/s1
InChIKeyVXMXKDAHJURHEN-SDBHATRESA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
N6-(dimethylallyl)adenosine 5'-diphosphate (CHEBI:71678) has functional parent ADP (CHEBI:16761)
N6-(dimethylallyl)adenosine 5'-diphosphate (CHEBI:71678) is a adenosine 5'-phosphate (CHEBI:37096)
N6-(dimethylallyl)adenosine 5'-diphosphate (CHEBI:71678) is a purine ribonucleoside 5'-diphosphate (CHEBI:37038)
N6-(dimethylallyl)adenosine 5'-diphosphate (CHEBI:71678) is conjugate acid of N6-(dimethylallyl)adenosine 5'-diphosphate(3−) (CHEBI:73533)
Incoming Relation(s)
N6-(dimethylallyl)adenosine 5'-diphosphate(3−) (CHEBI:73533) is conjugate base of N6-(dimethylallyl)adenosine 5'-diphosphate (CHEBI:71678)
IUPAC Name 
N-(3-methylbut-2-en-1-yl)adenosine 5'-(trihydrogen diphosphate)
Synonyms  Source
N6-isopentenyladenosine 5'-diphosphateChEBI
N6-(Δ2-isopentenyl)adenosine 5'-diphosphateMetaCyc
isopentenyladenosine-5'-diphosphateMetaCyc
Isopentenyladenosine-5'-diphosphateKEGG COMPOUND
isopentenyladenosine riboside-5'-diphosphateMetaCyc
Isopentenyl-ADPKEGG COMPOUND
Manual XrefsDatabases
C16426KEGG COMPOUND
CPD-4203MetaCyc
Registry NumbersSources
Reaxys:598754Reaxys