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CHEBI:83107 - 2,6-dimethylheptyl sulfate

ChEBI IDCHEBI:83107
ChEBI Name2,6-dimethylheptyl sulfate
Stars
DefinitionAn organosulfate oxoanion that is the conjugate base of 2,6-dimethylheptyl hydrogen sulfate.
Last Modified23 September 2014
Submitternamrata
DownloadsMolfile
FormulaC9H19O4S
Net Charge-1
Average Mass223.314
Monoisotopic Mass223.10095
SMILESCC(C)CCCC(C)COS(=O)(=O)[O-]
InChIInChI=1S/C9H20O4S/c1-8(2)5-4-6-9(3)7-13-14(10,11)12/h8-9H,4-7H2,1-3H3,(H,10,11,12)/p-1
InChIKeyLICTUMJMBMBMQH-UHFFFAOYSA-M
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)
2,6-dimethylheptyl sulfate (CHEBI:83107) has role Daphnia pulex metabolite (CHEBI:83075)
2,6-dimethylheptyl sulfate (CHEBI:83107) has role kairomone (CHEBI:83074)
2,6-dimethylheptyl sulfate (CHEBI:83107) is a organosulfate oxoanion (CHEBI:58958)
2,6-dimethylheptyl sulfate (CHEBI:83107) is conjugate base of 2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108)
Incoming Relation(s)
(2R)-2,6-dimethylheptyl sulfate (CHEBI:83012) is a 2,6-dimethylheptyl sulfate (CHEBI:83107)
(2S)-2,6-dimethylheptyl sulfate (CHEBI:83011) is a 2,6-dimethylheptyl sulfate (CHEBI:83107)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) is conjugate acid of 2,6-dimethylheptyl sulfate (CHEBI:83107)
IUPAC Name 
2,6-dimethylheptyl sulfate