n-octyl sulfate (CHEBI:83021)

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ChEBI Name	n-octyl sulfate

ChEBI ID	CHEBI:83021

ChEBI ASCII Name	n-octyl sulfate

Definition	An organosulfate oxoanion that is the conjugate base of octyl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C8H17O4S

Net Charge

-1

Average Mass

209.28400

Monoisotopic Mass

209.08530

InChI

InChI=1S/C8H18O4S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H,9,10,11)/p-1

InChIKey

UZZYXUGECOQHPU-UHFFFAOYSA-M

SMILES

CCCCCCCCOS([O-])(=O)=O

Metabolite of Species	Details
Apostichopus japonicus (NCBI:txid307972)	See: PubMed
Daphnia pulex (NCBI:txid6669)	See: Aliphatic sulfates released from Daphnia induce morphological defense of hytoplankton: isolation and synthesis of kairomonesKo Yasumoto, Akinori Nishigami, Mina Yasumoto, Fumie Kasai, Yasuhiro Okada, Takenori Kusumi and Takashi OoiaTetrahedron Letters 46 (2005) 4765-4767

Roles Classification
Biological Role(s):	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. 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	n-octyl sulfate (CHEBI:83021) has role Daphnia pulex metabolite (CHEBI:83075) n-octyl sulfate (CHEBI:83021) has role kairomone (CHEBI:83074) n-octyl sulfate (CHEBI:83021) has role marine metabolite (CHEBI:76507) n-octyl sulfate (CHEBI:83021) is a organosulfate oxoanion (CHEBI:58958) n-octyl sulfate (CHEBI:83021) is conjugate base of octyl hydrogen sulfate (CHEBI:83122)

Incoming	octyl hydrogen sulfate (CHEBI:83122) is conjugate acid of n-octyl sulfate (CHEBI:83021)

IUPAC Name

octyl sulfate

Synonym	Source
octyl sulfate	UniProt

Registry Number	Type	Source
1871742	Reaxys Registry Number	Reaxys

Citation	Type	Source
22700234	PubMed citation	Europe PMC

Last Modified

26 October 2020