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CHEBI:234462 - 6-{5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}hexanoic acid

ChEBI IDCHEBI:234462
ChEBI Name6-{5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}hexanoic acid
Stars
ASCII Name6-{5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}hexanoic acid
DefinitionA member of the class of pyridines that is (S)-nicotine substituted by a 5-carboxypentyl group at position 2 of the pyridyl ring. It is a nicotine hapten.
Last Modified17 June 2025
SubmitterAdnan
DownloadsMolfile
FormulaC16H24N2O2
Net Charge0
Average Mass276.380
Monoisotopic Mass276.18378
SMILES[H][C@@]1(c2ccc(CCCCCC(=O)O)nc2)CCCN1C
InChIInChI=1S/C16H24N2O2/c1-18-11-5-7-15(18)13-9-10-14(17-12-13)6-3-2-4-8-16(19)20/h9-10,12,15H,2-8,11H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyJDAPBANSEVVDRE-HNNXBMFYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
6-{5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}hexanoic acid (CHEBI:234462) has role hapten (CHEBI:59174)
6-{5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}hexanoic acid (CHEBI:234462) is a N-alkylpyrrolidine (CHEBI:46775)
6-{5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}hexanoic acid (CHEBI:234462) is a monocarboxylic acid (CHEBI:25384)
6-{5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}hexanoic acid (CHEBI:234462) is a pyridines (CHEBI:26421)
IUPAC Name 
6-{5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-yl}hexanoic acid
Synonym  Source
nicotine-6-hexanoic acidChEBI
Citations