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CHEBI:145514 - MT-2153

ChEBI IDCHEBI:145514
ChEBI NameMT-2153
Stars
DefinitionA benzoylpyrazole that is 1H-pyrazole substituted by an ethyl, 3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl, and a hydroxy group at positions 1, 4 and 5, respectively. It is the active metabolite of the proherbicide, tolpyralate.
Last Modified27 November 2019
SubmitterAdnan
DownloadsMolfile
FormulaC17H22N2O6S
Net Charge0
Average Mass382.438
Monoisotopic Mass382.11986
SMILESCCn1ncc(C(=O)c2ccc(S(C)(=O)=O)c(OCCOC)c2C)c1O
InChIInChI=1S/C17H22N2O6S/c1-5-19-17(21)13(10-18-19)15(20)12-6-7-14(26(4,22)23)16(11(12)2)25-9-8-24-3/h6-7,10,21H,5,8-9H2,1-4H3
InChIKeyAOWROGWEYJVWCJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
MT-2153 (CHEBI:145514) has role herbicide (CHEBI:24527)
MT-2153 (CHEBI:145514) has role metabolite (CHEBI:25212)
MT-2153 (CHEBI:145514) is a aromatic alcohol (CHEBI:33854)
MT-2153 (CHEBI:145514) is a aromatic ether (CHEBI:35618)
MT-2153 (CHEBI:145514) is a aromatic ketone (CHEBI:76224)
MT-2153 (CHEBI:145514) is a benzoylpyrazole (CHEBI:38318)
MT-2153 (CHEBI:145514) is a pyrazole pesticide (CHEBI:38601)
MT-2153 (CHEBI:145514) is a sulfone (CHEBI:35850)
MT-2153 (CHEBI:145514) is a toluenes (CHEBI:27024)
Incoming Relation(s)
tolpyralate (CHEBI:145506) has functional parent MT-2153 (CHEBI:145514)
IUPAC Name 
(1-ethyl-5-hydroxy-1H-pyrazol-4-yl)[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)phenyl]methanone
Synonym  Source
(1-ethyl-5-hydroxypyrazol-4-yl)[4-mesyl-3-(2-methoxyethoxy)-2-methylphenyl]mthanoneChEBI
Citations