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CHEBI:175603 - 2-Phenylaminoadenosine

Default Structure
ChEBI IDCHEBI:175603
ChEBI Name2-Phenylaminoadenosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18N6O4
Net Charge0
Average Mass358.358
Monoisotopic Mass358.13895
SMILESNc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,(H3,17,19,20,21)/t9-,11-,12-,15-/m1/s1
InChIKeySCNILGOVBBRMBK-SDBHATRESA-N
ChEBI Ontology
Outgoing Relation(s)
2-Phenylaminoadenosine (CHEBI:175603) is a purine nucleoside (CHEBI:26394)
IUPAC Name 
(2R,3R,4S,5R)-2-(6-amino-2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Manual XrefsDatabases
5293029ChemSpider
Registry NumbersSources
CAS:53296-10-9ChemIDplus