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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:molinate
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Accession:CHEBI:6964 term browser browse the term
Definition:A member of the class of azepanes that is azepane in which the nitrogen is substituted by an (ethylsulfanyl)carbonyl group, -C(=O)SEt. A thiocarbamate herbicide not approved for use in the U.S. or European Union, it is used control grass weeds in rice paddies.
Synonyms:exact_synonym: S-ethyl azepane-1-carbothioate
 related_synonym: Formula=C9H17NOS;   InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3;   InChIKey=DEDOPGXGGQYYMW-UHFFFAOYSA-N;   Ordram;   S-ethyl 1-hexamethyleneiminothiocarbamate;   S-ethyl N,N-hexamethylenethiocarbamate;   S-ethyl N,N-hexamethylenothiocarbamate;   S-ethyl hexahydro-1H-azepine-1-carbothioate;   S-ethyl hexahydroazepine-1-carbothioate;   S-ethyl perhydroazepine-1-carbothioate;   S-ethyl perhydroazepine-1-thiocarboxylate;   S-ethyl-N-hexamethylenethiocarbamate;   SMILES=C1CN(C(SCC)=O)CCCC1;   ethyl 1-hexamethyleneiminecarbothiolate
 xref: AGR:IND91023048;   CAS:2212-67-1;   KEGG:C11086
 xref_mesh: MESH:C009821
 xref: PMID:11452140;   PMID:16380149;   PMID:16417035;   PMID:19545510;   PMID:20862524;   PMID:20954713;   PMID:21216347;   PMID:22456730;   PMID:24193246;   PMID:24928378;   PMID:24946031;   PMID:25636851;   PMID:25905461;   PMID:27421102;   PPDB:473;   Pesticides:molinate

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molinate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Aldh2 aldehyde dehydrogenase 2 family member multiple interactions ISO molinate inhibits the reaction [ALDH2 protein results in increased metabolism of propionaldehyde]; molinate metabolite binds to and results in decreased activity of ALDH2 protein; molinate metabolite inhibits the reaction [ALDH2 protein results in increased metabolism of propionaldehyde] CTD PMID:20954713 NCBI chr12:40,466,418...40,498,813
Ensembl chr12:40,466,495...40,498,752 		JBrowse link
G Lhb luteinizing hormone subunit beta affects secretion EXP molinate affects the secretion of LHB protein CTD PMID:15601673 NCBI chr 1:101,409,992...101,413,725
Ensembl chr 1:101,410,019...101,413,724 		JBrowse link
G Nr1i3 nuclear receptor subfamily 1, group I, member 3 increases activity ISO molinate results in increased activity of NR1I3 protein CTD PMID:28927721 NCBI chr13:89,585,072...89,591,278
Ensembl chr13:89,586,283...89,591,277 		JBrowse link
G Uba1 ubiquitin-like modifier activating enzyme 1 multiple interactions ISO molinate results in increased activity of and results in increased ubiquitination of UBA1 protein CTD PMID:25714994 NCBI chr  X:1,723,135...1,745,147
Ensembl chr  X:1,723,174...1,741,701 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19875
    role 19825
      application 19494
        antispermatogenic agent 565
          molinate 4
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            heteroorganic entity 19248
                              organochalcogen compound 18956
                                organooxygen compound 18879
                                  ester 15906
                                    thiocarboxylic ester 190
                                      thiocarbamic ester 19
                                        monothiocarbamic ester 12
                                          molinate 4
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