CHEBI:28322 - (+)-coniine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-coniine
ChEBI ID CHEBI:28322
Definition A 2-propylpiperidine that has S-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3860, CHEBI:23373
Supplier Information
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Formula C8H17N
Net Charge 0
Average Mass 127.231
Monoisotopic Mass 127.13610
InChI InChI=1S/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3/t8-/m0/s1
InChIKey NDNUANOUGZGEPO-QMMMGPOBSA-N
SMILES CCC[C@H]1CCCCN1
Roles Classification
Biological Role(s): 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.
(via 2-propylpiperidine )
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-coniine (CHEBI:28322) is a 2-propylpiperidine (CHEBI:229941)
(+)-coniine (CHEBI:28322) is enantiomer of (−)-coniine (CHEBI:230480)
Incoming (+)-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 Sources
(+)-Coniine KEGG COMPOUND
(S)-(+)-coniine ChemIDplus
(S)-2-propylpiperidine ChEBI
(S)-β-propylpiperidine ChemIDplus
Cicutine ChemIDplus
Coniine KEGG COMPOUND
Manual Xrefs Databases
C00002031 KNApSAcK
C06523 KEGG COMPOUND
HMDB0030285 HMDB
View more database links
Registry Numbers Types Sources
458-88-8 CAS Registry Number KEGG COMPOUND
458-88-8 CAS Registry Number NIST Chemistry WebBook
79906 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
11672268 PubMed citation Europe PMC
12240314 PubMed citation Europe PMC
15105931 PubMed citation Europe PMC
15490002 PubMed citation Europe PMC
16557623 PubMed citation Europe PMC
17518477 PubMed citation Europe PMC
19480434 PubMed citation Europe PMC
23086230 PubMed citation Europe PMC
28571539 PubMed citation Europe PMC
36329158 PubMed citation Europe PMC
Last Modified
17 April 2024