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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:ethyl methanesulfonate
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Accession:CHEBI:23994 term browser browse the term
Definition:A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol.
Synonyms:related_synonym: EMS;   Formula=C3H8O3S;   InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3;   InChIKey=PLUBXMRUUVWRLT-UHFFFAOYSA-N;   SMILES=CCOS(C)(=O)=O;   ethyl mesylate;   ethyl methanesulphonate;   methylsulfonic acid ethyl ester
 xref: CAS:62-50-0;   KEGG:C19239
 xref_mesh: MESH:D005020
 xref: PMID:16039156;   PMID:19797863;   PMID:20102787;   PMID:24475756;   PMID:24524729;   PMID:24531730;   PMID:24728647;   PMID:6936603;   PMID:7285888;   Reaxys:773969;   Wikipedia:Ethyl_methanesulfonate


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      CHEBI ontology 19909
        role 19880
          biological role 19878
            aetiopathogenetic role 19245
              genotoxin 17693
                ethyl methanesulfonate 2178
    Path 2
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      CHEBI ontology 19909
        subatomic particle 19907
          composite particle 19907
            hadron 19907
              baryon 19907
                nucleon 19907
                  atomic nucleus 19907
                    atom 19907
                      main group element atom 19846
                        p-block element atom 19846
                          chalcogen 19601
                            oxygen atom 19572
                              oxygen molecular entity 19572
                                hydroxides 19384
                                  oxoacid 18821
                                    chalcogen oxoacid 13816
                                      sulfur oxoacid 13608
                                        sulfonic acid 11632
                                          sulfo group 9963
                                            organosulfonic acid 9963
                                              alkanesulfonic acid 4011
                                                methanesulfonic acid 4001
                                                  methanesulfonates 3998
                                                    methanesulfonate ester 3997
                                                      ethyl methanesulfonate 2178
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