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CHEBI:83122 - octyl hydrogen sulfate

ChEBI IDCHEBI:83122
ChEBI Nameoctyl hydrogen sulfate
Stars
DefinitionAn alkyl sulfate that is the sulfuric ester of octan-1-ol.
Last Modified23 September 2014
Submitternamrata
DownloadsMolfile
FormulaC8H18O4S
Net Charge0
Average Mass210.295
Monoisotopic Mass210.09258
SMILESCCCCCCCCOS(=O)(=O)O
InChIInChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKeyUZZYXUGECOQHPU-UHFFFAOYSA-N
Roles Classification
Biological Roles:
Daphnia pulex metabolite  A Daphnia metabolite produced by the species Daphnia pulex.
kairomone  A semiochemical used for inter-species chemical communication in a way that benefits an individual of another species that receives the chemical signal.
ChEBI Ontology
Outgoing Relation(s)
octyl hydrogen sulfate (CHEBI:83122) has functional parent octan-1-ol (CHEBI:16188)
octyl hydrogen sulfate (CHEBI:83122) has role Daphnia pulex metabolite (CHEBI:83075)
octyl hydrogen sulfate (CHEBI:83122) has role kairomone (CHEBI:83074)
octyl hydrogen sulfate (CHEBI:83122) is a alkyl sulfate (CHEBI:29281)
octyl hydrogen sulfate (CHEBI:83122) is conjugate acid of n-octyl sulfate (CHEBI:83021)
Incoming Relation(s)
n-octyl sulfate (CHEBI:83021) is conjugate base of octyl hydrogen sulfate (CHEBI:83122)
IUPAC Name 
octyl hydrogen sulfate