EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178532 - Deoxyeritadenine

ChEBI IDCHEBI:178532
ChEBI NameDeoxyeritadenine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H11N5O3
Net Charge0
Average Mass237.219
Monoisotopic Mass237.08619
SMILESNc1ncnc2c1ncn2CCC(O)C(=O)O
InChIInChI=1S/C9H11N5O3/c10-7-6-8(12-3-11-7)14(4-13-6)2-1-5(15)9(16)17/h3-5,15H,1-2H2,(H,16,17)(H2,10,11,12)
InChIKeyNWPWVFAEENVVJM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Deoxyeritadenine (CHEBI:178532) is a 6-aminopurines (CHEBI:20706)
IUPAC Name 
4-(6-aminopurin-9-yl)-2-hydroxybutanoic acid
Manual XrefsDatabases
HMDB0029928HMDB
4476756ChemSpider