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CHEBI:208265 - Preubetain G

ChEBI IDCHEBI:208265
ChEBI NamePreubetain G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H33NO3
Net Charge0
Average Mass347.499
Monoisotopic Mass347.24604
SMILESCN1[C@H](CCCCCCCCC(=O)O)C[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C21H33NO3/c1-22-18(13-9-4-2-3-5-10-14-21(24)25)16-20(23)19(22)15-17-11-7-6-8-12-17/h6-8,11-12,18-20,23H,2-5,9-10,13-16H2,1H3,(H,24,25)/t18-,19+,20+/m1/s1
InChIKeySHNGUTOBVBMHGD-AABGKKOBSA-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 G (CHEBI:208265) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
9-[(2R,4S,5S)-5-benzyl-4-hydroxy-1-methylpyrrolidin-2-yl]nonanoic acid
Manual XrefsDatabases
71048908ChemSpider