CHEBI:27399 - deisopropylatrazine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name deisopropylatrazine
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
Download Molfile XML SDF
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)
SMILES CCNc1nc(N)nc(Cl)n1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted 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)
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
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 Waiting for 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