EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76290 - PhIP

ChEBI IDCHEBI:76290
ChEBI NamePhIP
Stars
DefinitionAn imidazopyridine that is 1H--imidazo[4,5-b]pyridine which is substituted at positions 1, 2, and 6 by methyl, amino, and phenyl groups, respectively. It is the most abundant of the mutagenic heterocyclic amines found in cooked meat and fish.
Last Modified20 April 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H12N4
Net Charge0
Average Mass224.267
Monoisotopic Mass224.10620
SMILESCn1c(N)nc2ncc(-c3ccccc3)cc21
InChIInChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
InChIKeyUQVKZNNCIHJZLS-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
mutagen  An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.
ChEBI Ontology
Outgoing Relation(s)
PhIP (CHEBI:76290) has role carcinogenic agent (CHEBI:50903)
PhIP (CHEBI:76290) has role mutagen (CHEBI:25435)
PhIP (CHEBI:76290) is a imidazopyridine (CHEBI:46908)
PhIP (CHEBI:76290) is a primary amino compound (CHEBI:50994)
Incoming Relation(s)
N-hydroxy-PhIP (CHEBI:133920) has functional parent PhIP (CHEBI:76290)
IUPAC Name 
1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine
Synonyms  Source
2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridineChemIDplus
PhIPKEGG COMPOUND
Manual XrefsDatabases
2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridineWikipedia
C16038KEGG COMPOUND
HMDB0041008HMDB
PIQPDBeChem
Registry NumbersSources
Reaxys:5951264Reaxys
CAS:105650-23-5ChemIDplus
CAS:105650-23-5KEGG COMPOUND
Citations