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CHEBI:83012 - (2R)-2,6-dimethylheptyl sulfate

ChEBI IDCHEBI:83012
ChEBI Name(2R)-2,6-dimethylheptyl sulfate
Stars
ASCII Name(2R)-2,6-dimethylheptyl sulfate
DefinitionThe (R)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex.
Last Modified23 September 2014
DownloadsMolfile
FormulaC9H19O4S
Net Charge-1
Average Mass223.314
Monoisotopic Mass223.10095
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)/p-1/t9-/m1/s1
InChIKeyLICTUMJMBMBMQH-SECBINFHSA-M
Species of MetaboliteComponentSourceComments
Daphnia pulex (ncbitaxon:6669) - Article (Isolation and Absolute Configuration Determination of Aliphatic Sulfates as the Daphnia Kairomones Inducing Morphological Defense of a PhytoplanktonKo YASUMOTO, Akinori NISHIGAMI, Fumie KASAI, Takenori KUSUMI, and Takashi OOIChem. Pharm. Bull. 54(2) 271-274 (2006))
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)
(2R)-2,6-dimethylheptyl sulfate (CHEBI:83012) is a 2,6-dimethylheptyl sulfate (CHEBI:83107)
(2R)-2,6-dimethylheptyl sulfate (CHEBI:83012) is conjugate base of (2R)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83110)
(2R)-2,6-dimethylheptyl sulfate (CHEBI:83012) is enantiomer of (2S)-2,6-dimethylheptyl sulfate (CHEBI:83011)
Incoming Relation(s)
(2R)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83110) is conjugate acid of (2R)-2,6-dimethylheptyl sulfate (CHEBI:83012)
(2S)-2,6-dimethylheptyl sulfate (CHEBI:83011) is enantiomer of (2R)-2,6-dimethylheptyl sulfate (CHEBI:83012)
IUPAC Name 
(2R)-2,6-dimethylheptyl sulfate
Registry NumbersSources
Reaxys:8691836Reaxys
Citations