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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 20089
        role 20042
          biological role 20011
            aetiopathogenetic role 19302
              genotoxin 17568
                ethyl methanesulfonate 2176
    Path 2
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      CHEBI ontology 20089
        subatomic particle 20058
          composite particle 20058
            hadron 20088
              baryon 20088
                nucleon 20088
                  atomic nucleus 20088
                    atom 20058
                      main group element atom 19960
                        p-block element atom 19990
                          chalcogen 19732
                            oxygen atom 19674
                              oxygen molecular entity 19674
                                hydroxides 19454
                                  oxoacid 18744
                                    chalcogen oxoacid 11682
                                      sulfur oxoacid 11294
                                        sulfonic acid 7653
                                          sulfo group 6102
                                            organosulfonic acid 6102
                                              alkanesulfonic acid 3987
                                                methanesulfonic acid 3977
                                                  methanesulfonates 3974
                                                    methanesulfonate ester 3975
                                                      ethyl methanesulfonate 2176
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