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

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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 N6-2-(4-Aminophenyl)ethyladenosine
ChEBI ID CHEBI:180525
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H22N6O4
Net Charge 0
Average Mass 386.412
Monoisotopic Mass 386.17025
InChI InChI=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)
InChIKey XTPOZVLRZZIEBW-UHFFFAOYSA-N
SMILES O1C(N2C3=NC=NC(NCCC4=CC=C(N)C=C4)=C3N=C2)C(O)C(O)C1CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
4244 ChemSpider
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