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CHEBI:83109 - (2S)-2,6-dimethylheptyl hydrogen sulfate

ChEBI IDCHEBI:83109
ChEBI Name(2S)-2,6-dimethylheptyl hydrogen sulfate
Stars
ASCII Name(2S)-2,6-dimethylheptyl hydrogen sulfate
DefinitionThe (S)-enantiomer of 2,6-dimethylheptyl hydrogen sulfate.
Last Modified23 September 2014
Submitternamrata
DownloadsMolfile
FormulaC9H20O4S
Net Charge0
Average Mass224.322
Monoisotopic Mass224.10823
SMILESCC(C)CCC[C@H](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)/t9-/m0/s1
InChIKeyLICTUMJMBMBMQH-VIFPVBQESA-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)
(2S)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83109) is a 2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108)
(2S)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83109) is conjugate acid of (2S)-2,6-dimethylheptyl sulfate (CHEBI:83011)
(2S)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83109) is enantiomer of (2R)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83110)
Incoming Relation(s)
(2S)-2,6-dimethylheptyl sulfate (CHEBI:83011) is conjugate base of (2S)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83109)
(2R)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83110) is enantiomer of (2S)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83109)
IUPAC Name 
(2S)-2,6-dimethylheptyl hydrogen sulfate