CHEBI:83122 - octyl hydrogen sulfate

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ChEBI Name octyl hydrogen sulfate
ChEBI ID CHEBI:83122
Definition An alkyl sulfate that is the sulfuric ester of octan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H18O4S
Net Charge 0
Average Mass 210.29100
Monoisotopic Mass 210.09258
InChI InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKey UZZYXUGECOQHPU-UHFFFAOYSA-N
SMILES CCCCCCCCOS(O)(=O)=O
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 n-octyl sulfate (CHEBI:83021) is conjugate base of octyl hydrogen sulfate (CHEBI:83122)
IUPAC Name
octyl hydrogen sulfate
Last Modified
23 September 2014