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CHEBI:208283 - Preubetain J

Default Structure
ChEBI IDCHEBI:208283
ChEBI NamePreubetain J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H31NO2
Net Charge0
Average Mass305.462
Monoisotopic Mass305.23548
SMILESCC(O)CCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1C
InChIInChI=1S/C19H31NO2/c1-15(21)9-5-3-8-12-17-14-19(22)18(20(17)2)13-16-10-6-4-7-11-16/h4,6-7,10-11,15,17-19,21-22H,3,5,8-9,12-14H2,1-2H3/t15?,17-,18+,19+/m1/s1
InChIKeyAGVBGMYMFOZECS-QTMSITBTSA-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 J (CHEBI:208283) is a aralkylamine (CHEBI:18000)
IUPAC Name 
(2S,3S,5R)-2-benzyl-5-(6-hydroxyheptyl)-1-methylpyrrolidin-3-ol
Manual XrefsDatabases
71048911ChemSpider