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

Default Structure
ChEBI IDCHEBI:534
ChEBI Name1,4-bis(2-ethylhexyl) sulfosuccinate
Stars
Last Modified9 November 2017
DownloadsMolfile
FormulaC20H38O7S
Net Charge0
Average Mass422.584
Monoisotopic Mass422.23382
SMILESCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O
InChIInChI=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)
InChIKeyHNSDLXPSAYFUHK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (19167006)
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-(2-Methylphenyl)ethanoneHMDB
1-(2-Methylphenyl)-EthanoneHMDB
1-(2-Tolyl)ethanoneHMDB
1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acidChEBI
1,4-bis(2-ethylhexoxy)-1,4-diketo-butane-2-sulfonic acidChEBI
1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acidChEBI
Manual XrefsDatabases
941DrugCentral
C07874KEGG COMPOUND
HMDB0032386HMDB
Registry NumbersSources
CAS:10041-19-7KEGG COMPOUND
CAS:577-16-2KEGG COMPOUND
Citations