CHEBI:32079 - pyrrolnitrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information ChemicalBook:CB5547531, eMolecules:730270, ZINC000000044027
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C10H6Cl2N2O2
Net Charge 0
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.
View more via ChEBI Ontology
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
INNs Sources
pirrolnitrina ChemIDplus
pyrrolnitrin KEGG DRUG
pyrrolnitrine ChemIDplus
pyrrolnitrinum ChemIDplus
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
Manual Xrefs Databases
3513 DrugCentral
C00018726 KNApSAcK
C12491 KEGG COMPOUND
CPD-12776 MetaCyc
D01094 KEGG DRUG
Pyrrolnitrin Wikipedia
View more database links
Registry Numbers Types Sources
1018-71-9 CAS Registry Number ChemIDplus
1287646 Reaxys Registry Number Reaxys
Citations
Last Modified
29 September 2020