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> Main
CHEBI:27399 - deisopropylatrazine
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ChEBI Ontology
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ChEBI Name
deisopropylatrazine
ChEBI ID
CHEBI:27399
Definition
A diamino-1,3,5-triazine that is
N
-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:4374, CHEBI:23597
Supplier Information
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Formula
C5H8ClN5
Net Charge
0
Average Mass
173.60342
Monoisotopic Mass
173.04682
InChI
InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
InChIKey
IVENSCMCQBJAKW-UHFFFAOYSA-N
SMILES
CCNc1nc(N)nc(Cl)n1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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
deisopropylatrazine (
CHEBI:27399
)
has functional parent
6-chloro-1,3,5-triazine-2,4-diamine (
CHEBI:27726
)
deisopropylatrazine (
CHEBI:27399
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
deisopropylatrazine (
CHEBI:27399
)
has role
marine xenobiotic metabolite (
CHEBI:83399
)
deisopropylatrazine (
CHEBI:27399
)
is a
chloro-1,3,5-triazine (
CHEBI:38168
)
deisopropylatrazine (
CHEBI:27399
)
is a
diamino-1,3,5-triazine (
CHEBI:38170
)
IUPAC Name
6-chloro-
N
-ethyl-1,3,5-triazine-2,4-diamine
Synonyms
Sources
2-amino-4-chloro-6-(ethylamino)-
s
-triazine
ChemIDplus
2-amino-4-chloro-6-ethylamino-
s
-triazine
ChemIDplus
2-chloro-4-amino-6-ethylamino-
s
-triazine
ChemIDplus
6-deisopropylatrazine
ChemIDplus
amino-2-chloro-6-ethylamino-
s
-triazine
UM-BBD
Deisopropylatrazine
KEGG COMPOUND
Manual Xrefs
Databases
c0166
UM-BBD
C06556
KEGG COMPOUND
CPD-805
MetaCyc
View more database links
Registry Numbers
Types
Sources
1007-28-9
CAS Registry Number
KEGG COMPOUND
1007-28-9
CAS Registry Number
ChemIDplus
8150
Reaxys Registry Number
Reaxys
8150
Beilstein Registry Number
Beilstein
Citations
Types
Sources
14759146
PubMed citation
Europe PMC
9920461
PubMed citation
Europe PMC
Last Modified
04 November 2014
General Comments
2014-10-29
Metabolite of Atrazine
2014-10-29
Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag