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CHEBI:230396 - 4-Amino-1-[(1S,2S,4S)-4,5-bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidin-2-one

Default Structure
ChEBI IDCHEBI:230396
ChEBI Name4-Amino-1-[(1S,2S,4S)-4,5-bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidin-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H17N3O3
Net Charge0
Average Mass251.286
Monoisotopic Mass251.12699
SMILESNc1ccn([C@H]2C[C@H](CO)C3(CO)C[C@H]23)c(=O)n1
InChIInChI=1S/C12H17N3O3/c13-10-1-2-15(11(18)14-10)9-3-7(5-16)12(6-17)4-8(9)12/h1-2,7-9,16-17H,3-6H2,(H2,13,14,18)/t7-,8-,9+,12?/m1/s1
InChIKeyMTUCIFRYYJNIDP-PDBLZVRPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
4-Amino-1-[(1S,2S,4S)-4,5-bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidin-2-one (CHEBI:230396) is a nucleobase-containing molecular entity (CHEBI:61120)
IUPAC Name 
4-amino-1-[(1S,2S,4S)-4,5-bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidin-2-one