CHEBI:83019 - (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate

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ChEBI Name (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate
ChEBI ID CHEBI:83019
ChEBI ASCII Name (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate
Definition An organosulfate oxoanion that is the conjugate base of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H19O4S
Net Charge -1
Average Mass 259.34200
Monoisotopic Mass 259.10095
InChI InChI=1S/C12H20O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-4,6-7,9-10H,2,5,8,11-12H2,1H3,(H,13,14,15)/p-1/b4-3-,7-6-,10-9-
InChIKey MRKQZIXMEQPHNQ-PDBXOOCHSA-M
SMILES CC\C=C/C\C=C/C\C=C/CCOS([O-])(=O)=O
Metabolite of Species Details
Daphnia pulex (NCBI:txid6669) See: Aliphatic sulfates released from Daphnia induce morphological defense of phytoplankton: isolation and synthesis of kairomonesKo Yasumoto, Akinori Nishigami, Mina Yasumoto, Fumie Kasai, Yasuhiro Okada, Takenori Kusumi and Takashi OoiaTetrahedron Letters 46 (2005) 4765-4767
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019) has role Daphnia pulex metabolite (CHEBI:83075)
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019) has role kairomone (CHEBI:83074)
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019) is a organosulfate oxoanion (CHEBI:58958)
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019) is conjugate base of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate (CHEBI:83117)
Incoming (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate (CHEBI:83117) is conjugate acid of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate (CHEBI:83019)
IUPAC Name
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl sulfate
Registry Number Type Source
10014404 Reaxys Registry Number Reaxys
Last Modified
23 September 2014