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ChEBI
> Main
CHEBI:81666 - 4-methyl-5-nitrocatechol
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ChEBI Ontology
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ChEBI Name
4-methyl-5-nitrocatechol
ChEBI ID
CHEBI:81666
Definition
A nitrotoluene that is 2-nitrotoluene carrying two hydroxy substituents at positions 4 and 5.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H7NO4
Net Charge
0
Average Mass
169.13480
Monoisotopic Mass
169.03751
InChI
InChI=1S/C7H7NO4/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3,9-10H,1H3
InChIKey
WLLRAKCRHPMKNA-UHFFFAOYSA-N
SMILES
Cc1cc(O)c(O)cc1[N+]([O-])=O
Metabolite of Species
Details
Pseudomonas
sp.
(NCBI:txid306)
of strain DNT See:
PubMed
Roles Classification
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-methyl-5-nitrocatechol (
CHEBI:81666
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
4-methyl-5-nitrocatechol (
CHEBI:81666
)
is a
catechols (
CHEBI:33566
)
4-methyl-5-nitrocatechol (
CHEBI:81666
)
is a
nitrotoluene (
CHEBI:25566
)
IUPAC Name
4-methyl-5-nitrobenzene-1,2-diol
Synonyms
Sources
4-methyl-5-nitrocatechol
UniProt
4M5NC
ChEBI
Manual Xrefs
Databases
C18315
KEGG COMPOUND
CPD-9134
MetaCyc
View more database links
Registry Numbers
Types
Sources
3257244
Reaxys Registry Number
Reaxys
68906-21-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
1781682
PubMed citation
Europe PMC
18970513
PubMed citation
Europe PMC
8195105
PubMed citation
Europe PMC
8830701
PubMed citation
Europe PMC
Last Modified
07 October 2015