CHEBI:165838 - N-Allyladenosine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-Allyladenosine
ChEBI ID CHEBI:165838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H17N5O4
Net Charge 0
Average Mass 307.310
Monoisotopic Mass 307.12805
InChI InChI=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
InChIKey WTYYPLSFICPDGL-QYVSTXNMSA-N
SMILES O1[C@@H](N2C3=NC=NC(NCC=C)=C3N=C2)[C@H](O)[C@H](O)[C@H]1CO
ChEBI Ontology
Outgoing 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 Xref Database
87633 ChemSpider
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Registry Number Type Source
15763-12-9 CAS Registry Number ChemIDplus