CHEBI:83476 - simazine-2-hydroxy

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ChEBI Name simazine-2-hydroxy
ChEBI ID CHEBI:83476
Definition A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide simazine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H13N5O
Net Charge 0
Average Mass 183.21100
Monoisotopic Mass 183.11201
InChI InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)
InChIKey YQIXRXMOJFQVBV-UHFFFAOYSA-N
SMILES CCNc1nc(O)nc(NCC)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): 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 simazine-2-hydroxy (CHEBI:83476) has role marine xenobiotic metabolite (CHEBI:83399)
simazine-2-hydroxy (CHEBI:83476) is a diamino-1,3,5-triazine (CHEBI:38170)
simazine-2-hydroxy (CHEBI:83476) is a heteroaryl hydroxy compound (CHEBI:74818)
IUPAC Name
4,6-bis(ethylamino)-1,3,5-triazin-2-ol
Synonyms Sources
2-hydroxysimazine ChEBI
4,6-Bis(ethylamino)-s-triazin-2-ol ChemIDplus
hydroxysimazine ChemIDplus
Registry Numbers Types Sources
2599-11-3 CAS Registry Number ChemIDplus
611555 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17782633 PubMed citation Europe PMC
8653194 PubMed citation Europe PMC
IND20605303 Agricola citation Europe PMC
IND79027551 Agricola citation Europe PMC
Last Modified
10 November 2014