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CHEBI:83073 - 7-methyloctyl hydrogen sulfate

ChEBI IDCHEBI:83073
ChEBI Name7-methyloctyl hydrogen sulfate
Stars
DefinitionAn alkyl sulfate that is 7-methyloctyl ester of sulfuric acid.
Last Modified22 September 2014
Submitternamrata
DownloadsMolfile
FormulaC9H20O4S
Net Charge0
Average Mass224.322
Monoisotopic Mass224.10823
SMILESCC(C)CCCCCCOS(=O)(=O)O
InChIInChI=1S/C9H20O4S/c1-9(2)7-5-3-4-6-8-13-14(10,11)12/h9H,3-8H2,1-2H3,(H,10,11,12)
InChIKeyARACXKCAGMFROY-UHFFFAOYSA-N
Roles Classification
Biological Roles:
kairomone  A semiochemical used for inter-species chemical communication in a way that benefits an individual of another species that receives the chemical signal.
Daphnia pulex metabolite  A Daphnia metabolite produced by the species Daphnia pulex.
ChEBI Ontology
Outgoing Relation(s)
7-methyloctyl hydrogen sulfate (CHEBI:83073) has role Daphnia pulex metabolite (CHEBI:83075)
7-methyloctyl hydrogen sulfate (CHEBI:83073) has role kairomone (CHEBI:83074)
7-methyloctyl hydrogen sulfate (CHEBI:83073) is a alkyl sulfate (CHEBI:29281)
7-methyloctyl hydrogen sulfate (CHEBI:83073) is conjugate acid of 7-methyloctyl sulfate (CHEBI:82991)
Incoming Relation(s)
7-methyloctyl sulfate (CHEBI:82991) is conjugate base of 7-methyloctyl hydrogen sulfate (CHEBI:83073)
IUPAC Name 
7-methyloctyl hydrogen sulfate