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CHEBI:192155 - 6-hydroxy buspirone

ChEBI IDCHEBI:192155
ChEBI Name6-hydroxy buspirone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31N5O3
Net Charge0
Average Mass401.511
Monoisotopic Mass401.24269
SMILESO=C1CC2(CCCC2)C(O)C(=O)N1CCCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H31N5O3/c27-17-16-21(6-1-2-7-21)18(28)19(29)26(17)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9,18,28H,1-4,6-7,10-16H2
InChIKeyKOZNAHJIJGCFJJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
6-hydroxy buspirone (CHEBI:192155) is a N-arylpiperazine (CHEBI:46848)
IUPAC Name 
10-hydroxy-8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
Manual XrefsDatabases
HMDB0061110HMDB
8106544ChemSpider
Registry NumbersSources
CAS:125481-61-0ChemIDplus