CHEBI:83542 - methiocarb-sulfoxide

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ChEBI Name methiocarb-sulfoxide
ChEBI ID CHEBI:83542
Definition A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H15NO3S
Net Charge 0
Average Mass 241.30700
Monoisotopic Mass 241.07726
InChI InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChIKey FNCMBMZOZQAWJA-UHFFFAOYSA-N
SMILES CNC(=O)Oc1cc(C)c(c(C)c1)S(C)=O
Roles Classification
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing methiocarb-sulfoxide (CHEBI:83542) has role marine xenobiotic metabolite (CHEBI:83399)
methiocarb-sulfoxide (CHEBI:83542) is a carbamate ester (CHEBI:23003)
methiocarb-sulfoxide (CHEBI:83542) is a sulfoxide (CHEBI:22063)
IUPAC Name
3,5-dimethyl-4-(methylsulfinyl)phenyl methylcarbamate
Synonym Source
Mesurol sulfoxide NIST Chemistry WebBook
Registry Numbers Types Sources
2130137 Reaxys Registry Number Reaxys
2635-10-1 CAS Registry Number NIST Chemistry WebBook
2635-10-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23252625 PubMed citation Europe PMC
8568832 PubMed citation Europe PMC
Last Modified
19 November 2014