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CHEBI:83108 - 2,6-dimethylheptyl hydrogen sulfate

ChEBI IDCHEBI:83108
ChEBI Name2,6-dimethylheptyl hydrogen sulfate
Stars
DefinitionAn alkyl sulfate that is the sulfuric ester of 2,6-dimethylheptan-1-ol.
Last Modified23 September 2014
Submitternamrata
DownloadsMolfile
FormulaC9H20O4S
Net Charge0
Average Mass224.322
Monoisotopic Mass224.10823
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)
InChIKeyLICTUMJMBMBMQH-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)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) has functional parent 2,6-dimethylheptan-1-ol (CHEBI:83104)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) has role Daphnia pulex metabolite (CHEBI:83075)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) has role kairomone (CHEBI:83074)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) is a alkyl sulfate (CHEBI:29281)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) is conjugate acid of 2,6-dimethylheptyl sulfate (CHEBI:83107)
Incoming Relation(s)
(2R)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83110) is a 2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108)
(2S)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83109) is a 2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108)
2,6-dimethylheptyl sulfate (CHEBI:83107) is conjugate base of 2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108)
IUPAC Name 
2,6-dimethylheptyl hydrogen sulfate