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ChEBI
> Main
CHEBI:32079 - pyrrolnitrin
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ChEBI Ontology
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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
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)-1
H
-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
Types
Sources
20373823
PubMed citation
Europe PMC
23149469
PubMed citation
Europe PMC
23990066
PubMed citation
Europe PMC
25679537
PubMed citation
Europe PMC
25901993
PubMed citation
Europe PMC
26150017
PubMed citation
Europe PMC
31481858
PubMed citation
Europe PMC
31484394
PubMed citation
Europe PMC
4379208
PubMed citation
Europe PMC
4955234
PubMed citation
Europe PMC
IND44365835
Agricola citation
Europe PMC
Last Modified
29 September 2020