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CHEBI:83015 - (3S,4E)-3-methyldec-4-en-1-yl sulfate

ChEBI IDCHEBI:83015
ChEBI Name(3S,4E)-3-methyldec-4-en-1-yl sulfate
Stars
ASCII Name(3S,4E)-3-methyldec-4-en-1-yl sulfate
DefinitionAn organosulfate oxoanion that is the conjugate base of (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been found to induce morphological changes in the phytoplankton, Scenedesmus gutwinskii.
Last Modified23 September 2014
DownloadsMolfile
FormulaC11H21O4S
Net Charge-1
Average Mass249.352
Monoisotopic Mass249.11660
SMILESCCCCC/C=C/[C@@H](C)CCOS(=O)(=O)[O-]
InChIInChI=1S/C11H22O4S/c1-3-4-5-6-7-8-11(2)9-10-15-16(12,13)14/h7-8,11H,3-6,9-10H2,1-2H3,(H,12,13,14)/p-1/b8-7+/t11-/m1/s1
InChIKeyQNUMXENJPAUAPZ-WSKFYRRCSA-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 Phytoplankton-Part 2Ko YASUMOTO, Akinori NISHIGAMI, Hiroaki AOI, Chise TSUCHIHASHI, Fumie KASAI, Takenori KUSUMI, and Takashi OOIChem. Pharm. Bull. 56(1) 129-132 (2008))
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)
(3S,4E)-3-methyldec-4-en-1-yl sulfate (CHEBI:83015) has role Daphnia pulex metabolite (CHEBI:83075)
(3S,4E)-3-methyldec-4-en-1-yl sulfate (CHEBI:83015) has role kairomone (CHEBI:83074)
(3S,4E)-3-methyldec-4-en-1-yl sulfate (CHEBI:83015) is a organosulfate oxoanion (CHEBI:58958)
(3S,4E)-3-methyldec-4-en-1-yl sulfate (CHEBI:83015) is conjugate base of (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate (CHEBI:83114)
Incoming Relation(s)
(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate (CHEBI:83114) is conjugate acid of (3S,4E)-3-methyldec-4-en-1-yl sulfate (CHEBI:83015)
IUPAC Name 
(3S,4E)-3-methyldec-4-en-1-yl sulfate
Registry NumbersSources
Reaxys:15883653Reaxys
Citations