Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
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
(2
S
)-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
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