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> Main
CHEBI:83468 - isoproturon-monodemethyl
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ChEBI Name
isoproturon-monodemethyl
ChEBI ID
CHEBI:83468
Definition
A member of the class of phenylureas that is 1-methylurea substituted by a
p
-cumenyl group at position 3. It is a metabolite of the herbicide isoproturon.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C11H16N2O
Net Charge
0
Average Mass
192.25750
Monoisotopic Mass
192.12626
InChI
InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)
InChIKey
DOULWWSSZVEPIN-UHFFFAOYSA-N
SMILES
CNC(=O)Nc1ccc(cc1)C(C)C
Roles Classification
Biological Role
(s):
marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
isoproturon-monodemethyl (
CHEBI:83468
)
has role
marine xenobiotic metabolite (
CHEBI:83399
)
isoproturon-monodemethyl (
CHEBI:83468
)
is a
a 1-methyl-3-phenylurea (
CHEBI:157694
)
isoproturon-monodemethyl (
CHEBI:83468
)
is a
phenylureas (
CHEBI:134043
)
IUPAC Name
1-methyl-3-[4-(propan-2-yl)phenyl]urea
Synonyms
Sources
1-methyl-3-[4-(propan-2-yl)phenyl]urea
UniProt
N
'-(isopropylphenyl)-
N
-methylurea
ChEBI
Registry Numbers
Types
Sources
2970914
Reaxys Registry Number
Reaxys
34123-57-4
CAS Registry Number
ChemIDplus
Citation
Type
Source
16332769
PubMed citation
Europe PMC
Last Modified
28 October 2020
General Comment
2014-10-29
Metabolite of Isoproturon