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CHEBI:83117 - (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate

ChEBI IDCHEBI:83117
ChEBI Name(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate
Stars
ASCII Name(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate
DefinitionA sulfuric ester of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol.
Last Modified23 September 2014
Submitternamrata
DownloadsMolfile
FormulaC12H20O4S
Net Charge0
Average Mass260.355
Monoisotopic Mass260.10823
SMILESCC/C=C\C/C=C\C/C=C\CCOS(=O)(=O)O
InChIInChI=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)/b4-3-,7-6-,10-9-
InChIKeyMRKQZIXMEQPHNQ-PDBXOOCHSA-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)
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate (CHEBI:83117) has role Daphnia pulex metabolite (CHEBI:83075)
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate (CHEBI:83117) has role kairomone (CHEBI:83074)
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate (CHEBI:83117) is a organic sulfate (CHEBI:25704)
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate (CHEBI:83117) is a sulfuric ester (CHEBI:26819)
(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)
Incoming Relation(s)
(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)
IUPAC Name 
(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate