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CHEBI:193414 - Retreversine

ChEBI IDCHEBI:193414
ChEBI NameRetreversine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H27N7O
Net Charge0
Average Mass393.495
Monoisotopic Mass393.22771
SMILESc1nc2nc(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)c2n1
InChIInChI=1S/C21H27N7O/c1-2-4-15(5-3-1)25-21-26-19-18(22-14-23-19)20(27-21)24-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
InChIKeyGCURSAGINSDQNR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Retreversine (CHEBI:193414) is a morpholines (CHEBI:38785)
IUPAC Name 
2-N-cyclohexyl-6-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
Manual XrefsDatabases
21467544ChemSpider