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CHEBI:208259 - Preubetain F

ChEBI IDCHEBI:208259
ChEBI NamePreubetain F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H29NO3
Net Charge0
Average Mass319.445
Monoisotopic Mass319.21474
SMILESCN1[C@H](CCCCCCC(=O)O)C[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H29NO3/c1-20-16(11-7-2-3-8-12-19(22)23)14-18(21)17(20)13-15-9-5-4-6-10-15/h4-6,9-10,16-18,21H,2-3,7-8,11-14H2,1H3,(H,22,23)/t16-,17+,18+/m1/s1
InChIKeyKDKGETUNBIYLFU-SQNIBIBYSA-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 F (CHEBI:208259) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
7-[(2R,4S,5S)-5-benzyl-4-hydroxy-1-methylpyrrolidin-2-yl]heptanoic acid
Manual XrefsDatabases
71048907ChemSpider