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CHEBI:149774 - 2-dodecylbenzenesulfonic acid

ChEBI IDCHEBI:149774
ChEBI Name2-dodecylbenzenesulfonic acid
Stars
DefinitionA member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 2 of the phenyl ring is substituted by a dodecyl group.
Last Modified5 June 2020
Submittermwilliams
DownloadsMolfile
FormulaC18H30O3S
Net Charge0
Average Mass326.502
Monoisotopic Mass326.19157
SMILESCCCCCCCCCCCCc1ccccc1S(=O)(=O)O
InChIInChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)
InChIKeyWBIQQQGBSDOWNP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Scolopendra subspinipes (ncbitaxon:55038) - PubMed (31254123)
Roles Classification
Chemical Role:
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application:
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
ChEBI Ontology
Outgoing Relation(s)
2-dodecylbenzenesulfonic acid (CHEBI:149774) has role animal metabolite (CHEBI:75767)
2-dodecylbenzenesulfonic acid (CHEBI:149774) is a dodecylbenzenesulfonic acid (CHEBI:149773)
IUPAC Name 
2-dodecylbenzenesulfonic acid
Synonyms  Source
2-dodecylbenzene-1-sulfonic acidIUPAC
o-dodecylbenzenesulfonic acidChemIDplus
2-dodecylbenzene-1-sulphonic acidHMDB
Manual XrefsDatabases
HMDB0031031HMDB
FDB003025FooDB
Registry NumbersSources
CAS:47221-31-8ChemIDplus
Citations