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CHEBI:231257 - 2-Amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-3H-purin-6-one

ChEBI IDCHEBI:231257
ChEBI Name2-Amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-3H-purin-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H15N5O3
Net Charge0
Average Mass253.262
Monoisotopic Mass253.11749
SMILESNc1nc(=O)c2ncn(CC(CO)CCO)c2n1
InChIInChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)3-6(4-17)1-2-16/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
InChIKeySCBFBAWJWLXVHS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
2-Amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-3H-purin-6-one (CHEBI:231257) is a purines (CHEBI:26401)
IUPAC Name 
2-amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-1H-purin-6-one
Manual XrefsDatabases
114402ChemSpider
HMDB0244320HMDB