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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
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Formulae C20H38O7S
C20H38O7S
Net Charge 0
Average Mass 422.578
Monoisotopic Mass 422.234
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)
IUPAC Name
1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonic acid
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-(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 Waiting for Citations Type Source
19167006 PubMed citation Europe PMC
Last Modified
09 November 2017