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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 19890
        role 19839
          biological role 19858
            aetiopathogenetic role 19213
              genotoxin 17680
                ethyl methanesulfonate 2178
    Path 2
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      CHEBI ontology 19890
        subatomic particle 19867
          composite particle 19888
            hadron 19888
              baryon 19888
                nucleon 19867
                  atomic nucleus 19888
                    atom 19888
                      main group element atom 19806
                        p-block element atom 19806
                          chalcogen 19577
                            oxygen atom 19549
                              oxygen molecular entity 19529
                                hydroxides 19334
                                  oxoacid 18791
                                    chalcogen oxoacid 13796
                                      sulfur oxoacid 13585
                                        sulfonic acid 11613
                                          sulfo group 9950
                                            organosulfonic acid 9950
                                              alkanesulfonic acid 4011
                                                methanesulfonic acid 4001
                                                  methanesulfonates 3998
                                                    methanesulfonate ester 3997
                                                      ethyl methanesulfonate 2178
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