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CHEBI:208289 - Preubetain K

Default Structure
ChEBI IDCHEBI:208289
ChEBI NamePreubetain K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H35NO2
Net Charge0
Average Mass333.516
Monoisotopic Mass333.26678
SMILESCCCC(O)CCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C
InChIInChI=1S/C21H35NO2/c1-3-10-19(23)14-9-5-8-13-18-16-21(24)20(22(18)2)15-17-11-6-4-7-12-17/h4,6-7,11-12,18-21,23-24H,3,5,8-10,13-16H2,1-2H3/t18-,19?,20+,21+/m1/s1
InChIKeyQITOQUWXCAMNFM-FSBVDMTNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30350993)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Preubetain K (CHEBI:208289) is a aralkylamine (CHEBI:18000)
IUPAC Name 
(2S,3S,5R)-2-benzyl-5-(6-hydroxynonyl)-1-methylpyrrolidin-3-ol
Manual XrefsDatabases
71048912ChemSpider