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CHEBI:206240 - Preubetain B

Default Structure
ChEBI IDCHEBI:206240
ChEBI NamePreubetain B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H31NO
Net Charge0
Average Mass289.463
Monoisotopic Mass289.24056
SMILESCCCCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C
InChIInChI=1S/C19H31NO/c1-3-4-5-6-10-13-17-15-19(21)18(20(17)2)14-16-11-8-7-9-12-16/h7-9,11-12,17-19,21H,3-6,10,13-15H2,1-2H3/t17-,18+,19+/m1/s1
InChIKeyWVQIMRKACPTMIH-QYZOEREBSA-N
Species of MetaboliteComponentSourceComments
Simplicillium (ncbitaxon:292631) - PubMed (24588303)
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 B (CHEBI:206240) is a aralkylamine (CHEBI:18000)
IUPAC Name 
(2S,3S,5R)-2-benzyl-5-heptyl-1-methylpyrrolidin-3-ol
Manual XrefsDatabases
32033788ChemSpider