pyrrolnitrin (CHEBI:32079)

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ChEBI Name	pyrrolnitrin

ChEBI ID	CHEBI:32079

Definition	A member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C10H6Cl2N2O2

Net Charge

Average Mass

257.07300

Monoisotopic Mass

255.98063

InChI

InChI=1S/C10H6Cl2N2O2/c11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-5,13H

InChIKey

QJBZDBLBQWFTPZ-UHFFFAOYSA-N

SMILES

[O-][N+](=O)c1c(Cl)cccc1-c1c[nH]cc1Cl

Metabolite of Species	Details
Acinetobacter haemolyticus (NCBI:txid29430)	of strain A19 See: PubMed
Pseudomonas stutzeri (NCBI:txid316)	See: PubMed
Pseudomonas chlororaphis (NCBI:txid587753)	of strain PCL1606 See: PubMed
Pseudomonas chlororaphis (NCBI:txid587753)	of strain PA23 See: PubMed
Burkholderia pyrrocinia (NCBI:txid60550)	See: PubMed

Roles Classification
Biological Role(s):	antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. 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. (via alkaloid )

Application(s):	antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals.

ChEBI Ontology
Outgoing	pyrrolnitrin (CHEBI:32079) has role antifungal drug (CHEBI:86327) pyrrolnitrin (CHEBI:32079) has role bacterial metabolite (CHEBI:76969) pyrrolnitrin (CHEBI:32079) is a C-nitro compound (CHEBI:35716) pyrrolnitrin (CHEBI:32079) is a alkaloid (CHEBI:22315) pyrrolnitrin (CHEBI:32079) is a monochlorobenzenes (CHEBI:83403) pyrrolnitrin (CHEBI:32079) is a pyrroles (CHEBI:26455)

IUPAC Name

3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole

Synonyms	Sources
3-Chloro-4-(2'-nitro-3'-chlorophenyl)pyrrole	ChemIDplus
3-Chloro-4-(3-chloro-2-nitrophenyl)pyrrole	ChemIDplus
NSC 107654	ChemIDplus
NSC-107654	ChemIDplus
pyrrolnitrin	UniProt

Last Modified

29 September 2020