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CHEBI:180525 - N6-2-(4-Aminophenyl)ethyladenosine

Default Structure
ChEBI IDCHEBI:180525
ChEBI NameN6-2-(4-Aminophenyl)ethyladenosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N6O4
Net Charge0
Average Mass386.412
Monoisotopic Mass386.17025
SMILESNc1ccc(CCNc2ncnc3c2ncn3C2OC(CO)C(O)C2O)cc1
InChIInChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)
InChIKeyXTPOZVLRZZIEBW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
N6-2-(4-Aminophenyl)ethyladenosine (CHEBI:180525) is a purine nucleoside (CHEBI:26394)
IUPAC Name 
2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Manual XrefsDatabases
4244ChemSpider