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CHEBI:28322 - (+)-coniine

ChEBI IDCHEBI:28322
ChEBI Name(+)-coniine
Stars
DefinitionA 2-propylpiperidine that has S-configuration.
Secondary ChEBI IDsCHEBI:3860, CHEBI:23373
Last Modified17 April 2024
DownloadsMolfile
FormulaC8H17N
Net Charge0
Average Mass127.231
Monoisotopic Mass127.13610
SMILESCCC[C@H]1CCCCN1
InChIInChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKeyNDNUANOUGZGEPO-QMMMGPOBSA-N
Roles Classification
Biological Roles:
teratogenic agent  A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(+)-coniine (CHEBI:28322) is a 2-propylpiperidine (CHEBI:229941)
(+)-coniine (CHEBI:28322) is enantiomer of (−)-coniine (CHEBI:230480)
Incoming Relation(s)
(+)-N-methylconiine (CHEBI:32) has parent hydride (+)-coniine (CHEBI:28322)
(−)-coniine (CHEBI:230480) is enantiomer of (+)-coniine (CHEBI:28322)
IUPAC Name 
(2S)-2-propylpiperidine
Synonyms  Source
ConiineKEGG COMPOUND
(+)-ConiineKEGG COMPOUND
(S)-(+)-coniineChemIDplus
(S)-β-propylpiperidineChemIDplus
CicutineChemIDplus
(S)-2-propylpiperidineChEBI
Manual XrefsDatabases
C06523KEGG COMPOUND
C00002031KNApSAcK
HMDB0030285HMDB
Registry NumbersSources
Beilstein:79906Beilstein
CAS:458-88-8KEGG COMPOUND
CAS:458-88-8NIST Chemistry WebBook
Citations