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CHEBI:165838 - N-Allyladenosine

Default Structure
ChEBI IDCHEBI:165838
ChEBI NameN-Allyladenosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17N5O4
Net Charge0
Average Mass307.310
Monoisotopic Mass307.12805
SMILESC=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H17N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h2,5-7,9-10,13,19-21H,1,3-4H2,(H,14,15,16)/t7-,9-,10-,13-/m1/s1
InChIKeyWTYYPLSFICPDGL-QYVSTXNMSA-N
ChEBI Ontology
Outgoing Relation(s)
N-Allyladenosine (CHEBI:165838) is a purine nucleoside (CHEBI:26394)
IUPAC Name 
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(prop-2-enylamino)purin-9-yl]oxolane-3,4-diol
Manual XrefsDatabases
87633ChemSpider
Registry NumbersSources
CAS:15763-12-9ChemIDplus