CHEBI:534 - 1,4-bis(2-ethylhexyl) sulfosuccinate

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ChEBI Name 1,4-bis(2-ethylhexyl) sulfosuccinate ChEBI ID CHEBI:534 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C20H38O7S C20H38O7S Net Charge 0 Average Mass 422.578 Monoisotopic Mass 422.23382 InChI 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 SMILES CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing 1,4-bis(2-ethylhexyl) sulfosuccinate (CHEBI:534) is a diester (CHEBI:51307) 1,4-bis(2-ethylhexyl) sulfosuccinate (CHEBI:534) is a organosulfonic acid (CHEBI:33551) Synonyms Sources 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid ChEBI 1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acid ChEBI 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid ChEBI 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid ChEBI 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid ChEBI 1,4-Bis(2-ethylhexyl) sulfosuccinate KEGG COMPOUND 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid HMDB 1-(2-Methylphenyl)-Ethanone HMDB 1-(2-Methylphenyl)ethanone HMDB 1-(2-Tolyl)ethanone HMDB 1-(Methylphenyl)-Ethanone HMDB 1-(Methylphenyl)ethan-1-one HMDB 2'-Methyl-Acetophenone HMDB 2'-Methylacetophenone HMDB 2'-Methylacetylphenone HMDB 2-Acetyltoluene HMDB Acetophenone, 2'-methyl- (8CI) HMDB dioctyl disodium sulfosuccinate DrugCentral dioctyl sulfosuccinate DrugCentral dioctyl sulfosuccinic acid DrugCentral docusate DrugCentral docusate calcium DrugCentral Docusate hydrogen KEGG COMPOUND Ethanone, 1-(2-methylphenyl)- (9CI) HMDB Methyl O-tolyl ketone HMDB O-Acetyltoluene HMDB O-Methyl acetophenone HMDB O-Methylacetophenone HMDB Manual Xrefs Databases 941 DrugCentral C07874 KEGG COMPOUND HMDB0032386 HMDB View more database links Registry Numbers Types Sources 10041-19-7 CAS Registry Number KEGG COMPOUND 577-16-2 CAS Registry Number KEGG COMPOUND Citation Type Source 19167006 PubMed citation Europe PMC Last Modified 09 November 2017