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> Main
CHEBI:83476 - simazine-2-hydroxy
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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
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