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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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    Path 1
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      CHEBI ontology 26034
        role 25961
          biological role 25929
            aetiopathogenetic role 24592
              genotoxin 20129
                ethyl methanesulfonate 2321
    Path 2
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      CHEBI ontology 26034
        subatomic particle 26009
          composite particle 26009
            hadron 26020
              baryon 26009
                nucleon 26009
                  atomic nucleus 26009
                    atom 26009
                      main group element atom 25834
                        p-block element atom 25834
                          chalcogen 24917
                            oxygen atom 24817
                              oxygen molecular entity 24806
                                hydroxides 24049
                                  oxoacid 22975
                                    chalcogen oxoacid 14506
                                      sulfur oxoacid 14255
                                        sulfonic acid 11958
                                          sulfo group 10297
                                            organosulfonic acid 10297
                                              alkanesulfonic acid 4254
                                                methanesulfonic acid 4245
                                                  methanesulfonates 4242
                                                    methanesulfonate ester 4241
                                                      ethyl methanesulfonate 2321
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