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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:1,4-bis(2-ethylhexyl) sulfosuccinate
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Accession:CHEBI:534 term browser browse the term
Definition:A succinate ester that has formula C20H38O7S.
Synonyms:related_synonym: 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid;   1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid;   1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid;   1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid;   1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid;   1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid;   1-(2-Methylphenyl)ethanone;   1-(2-Tolyl)ethanone;   1-(Methylphenyl)-Ethanone;   1-(Methylphenyl)ethan-1-one;   2'-Methyl-Acetophenone;   2'-Methylacetophenone;   2'-Methylacetylphenone;   2-Acetyltoluene;   Acetophenone, 2'-methyl- (8CI);   Docusate hydrogen;   Ethanone, 1-(2-methylphenyl)- (9CI);   Formula=C20H38O7S;   InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25);   InChIKey=HNSDLXPSAYFUHK-UHFFFAOYSA-N;   Methyl O-tolyl ketone;   O-Acetyltoluene;   O-Methyl acetophenone;   O-Methylacetophenone;   SMILES=CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O;   dioctyl disodium sulfosuccinate;   dioctyl sulfosuccinate;   dioctyl sulfosuccinic acid;   docusate;   docusate calcium
 xref: CAS:10041-19-7;   CAS:577-16-2;   Drug_Central:941;   HMDB:HMDB0032386;   KEGG:C07874
 xref_mesh: MESH:D004143
 xref: PMID:19167006


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5177
    chemical entity 5177
      group 5156
        inorganic group 4964
          sulfo group 24
            organosulfonic acid 24
              1,4-bis(2-ethylhexyl) sulfosuccinate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5177
    subatomic particle 5168
      composite particle 5168
        hadron 5168
          baryon 5168
            nucleon 5168
              atomic nucleus 5168
                atom 5168
                  main group element atom 5140
                    p-block element atom 5137
                      chalcogen 5035
                        oxygen atom 5003
                          oxygen molecular entity 5003
                            hydroxides 4956
                              oxoacid 438
                                chalcogen oxoacid 80
                                  sulfur oxoacid 64
                                    sulfonic acid 34
                                      sulfo group 24
                                        organosulfonic acid 24
                                          1,4-bis(2-ethylhexyl) sulfosuccinate 0
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