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CHEBI:85785 - monodechloroaminopyrrolnitrin

ChEBI IDCHEBI:85785
ChEBI Namemonodechloroaminopyrrolnitrin
Stars
DefinitionA member of the class of pyrroles carrying a 2-amino-3-chlorophenyl substituent at position 3.
Last Modified15 July 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H9ClN2
Net Charge0
Average Mass192.649
Monoisotopic Mass192.04543
SMILESNc1c(Cl)cccc1-c1ccnc1
InChIInChI=1S/C10H9ClN2/c11-9-3-1-2-8(10(9)12)7-4-5-13-6-7/h1-6,13H,12H2
InChIKeyVLWKKIHFPGKVHZ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas fluorescens (ncbitaxon:294) - PubMed (17924666)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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)
monodechloroaminopyrrolnitrin (CHEBI:85785) has role bacterial metabolite (CHEBI:76969)
monodechloroaminopyrrolnitrin (CHEBI:85785) is a indole alkaloid (CHEBI:38958)
monodechloroaminopyrrolnitrin (CHEBI:85785) is a monochlorobenzenes (CHEBI:83403)
monodechloroaminopyrrolnitrin (CHEBI:85785) is a pyrroles (CHEBI:26455)
monodechloroaminopyrrolnitrin (CHEBI:85785) is a substituted aniline (CHEBI:48975)
IUPAC Name 
2-chloro-6-(1H-pyrrol-3-yl)aniline
Synonyms  Source
4-(2-amino-3-chlorophenyl)pyrroleMetaCyc
2-chloro-6-(1H-pyrrol-3-yl)benzenamineMetaCyc
2-chloro-6-(pyrrol-3-yl)anilineChEBI
UniProt Name  Source
monodechloroaminopyrrolnitrinUniProt
Manual XrefsDatabases
CPD-12774MetaCyc
Registry NumbersSources
Reaxys:4989300Reaxys
CAS:75102-75-9ChemIDplus
Citations