MT-2153 (CHEBI:145514)

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ChEBI Name	MT-2153

ChEBI ID	CHEBI:145514

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C17H22N2O6S

Net Charge

Average Mass

382.430

Monoisotopic Mass

382.11986

InChI

InChI=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

InChIKey

AOWROGWEYJVWCJ-UHFFFAOYSA-N

SMILES

C=1C(=C(C(=C(C1)C(=O)C=2C=NN(C2O)CC)C)OCCOC)S(C)(=O)=O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	herbicide A substance used to destroy plant pests.

ChEBI Ontology
Outgoing	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	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]mthanone	ChEBI

Citation	Type	Source
26725441	PubMed citation	Europe PMC

Last Modified

27 November 2019