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CHEBI:208249 - Preubetain D

ChEBI IDCHEBI:208249
ChEBI NamePreubetain D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H25NO3
Net Charge0
Average Mass291.391
Monoisotopic Mass291.18344
SMILESCN1[C@H](CCCCC(=O)O)C[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H25NO3/c1-18-14(9-5-6-10-17(20)21)12-16(19)15(18)11-13-7-3-2-4-8-13/h2-4,7-8,14-16,19H,5-6,9-12H2,1H3,(H,20,21)/t14-,15+,16+/m1/s1
InChIKeyBZVWIWXADKMNCO-PMPSAXMXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30350993)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Preubetain D (CHEBI:208249) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
5-[(2R,4S,5S)-5-benzyl-4-hydroxy-1-methylpyrrolidin-2-yl]pentanoic acid
Manual XrefsDatabases
71048905ChemSpider