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CHEBI:181439 - 1,N6-Ethenodeoxyadenosine

ChEBI IDCHEBI:181439
ChEBI Name1,N6-Ethenodeoxyadenosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13N5O3
Net Charge0
Average Mass275.268
Monoisotopic Mass275.10184
SMILESOC[C@H]1OC(n2cnc3c2ncn2ccnc32)C[C@@H]1O
InChIInChI=1S/C12H13N5O3/c18-4-8-7(19)3-9(20-8)17-6-14-10-11-13-1-2-16(11)5-15-12(10)17/h1-2,5-9,18-19H,3-4H2/t7-,8+,9?/m0/s1
InChIKeyXQQIMTUYVDUWKJ-ZQTLJVIJSA-N
ChEBI Ontology
Outgoing Relation(s)
1,N6-Ethenodeoxyadenosine (CHEBI:181439) is a purines (CHEBI:26401)
IUPAC Name 
(2R,3S)-2-(hydroxymethyl)-5-imidazo[2,1-]purin-3-yloxolan-3-ol
Manual XrefsDatabases
94838ChemSpider
Registry NumbersSources
CAS:68498-25-9ChemIDplus