CHEBI:17963 - 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine

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ChEBI Name 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
ChEBI ID CHEBI:17963
Definition A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:639, CHEBI:11263, CHEBI:19059
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Formula C12H15N
Net Charge 0
Average Mass 173.25424
Monoisotopic Mass 173.120
InChI InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChIKey PLRACCBDVIHHLZ-UHFFFAOYSA-N
SMILES CN1CCC(=CC1)c1ccccc1
Roles Classification
Biological Role(s): neurotoxin
A poison that interferes with the functions of the nervous system.
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ChEBI Ontology
Outgoing 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963) has role neurotoxin (CHEBI:50910)
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963) is a methylpyridines (CHEBI:25340)
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963) is a phenylpyridine (CHEBI:38193)
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963) is a tetrahydropyridine (CHEBI:26921)
Incoming 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine N-oxide (CHEBI:17472) has functional parent 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (CHEBI:17963)
IUPAC Name
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine
Synonyms Sources
1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine UniProt
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine KEGG COMPOUND
MPTP KEGG COMPOUND
Database Links Databases
C04599 KEGG COMPOUND
MPTP Wikipedia
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Registry Numbers Types Sources
133712 Reaxys Registry Number Reaxys
28289-54-5 CAS Registry Number KEGG COMPOUND
28289-54-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21798732 PubMed citation Europe PMC
21830164 PubMed citation Europe PMC
22393538 PubMed citation Europe PMC
23296790 PubMed citation Europe PMC
Last Modified
13 February 2014