CHEBI:83116 - (3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate

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ChEBI Name (3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate
ChEBI ID CHEBI:83116
ChEBI ASCII Name (3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate
Definition A sulfuric ester of (3Z,6Z)-dodeca-3,6-dien-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H22O4S
Net Charge 0
Average Mass 262.36600
Monoisotopic Mass 262.12388
InChI InChI=1S/C12H22O4S/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,13,14,15)/b7-6-,10-9-
InChIKey HHHCTRTWEMFDIL-HZJYTTRNSA-N
SMILES CCCCC\C=C/C\C=C/CCOS(O)(=O)=O
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)-dodeca-3,6-dien-1-yl hydrogen sulfate (CHEBI:83116) has role Daphnia pulex metabolite (CHEBI:83075)
(3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate (CHEBI:83116) has role kairomone (CHEBI:83074)
(3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate (CHEBI:83116) is a organic sulfate (CHEBI:25704)
(3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate (CHEBI:83116) is a sulfuric ester (CHEBI:26819)
(3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate (CHEBI:83116) is conjugate acid of (3Z,6Z)-dodeca-3,6-dien-1-yl sulfate (CHEBI:83018)
Incoming (3Z,6Z)-dodeca-3,6-dien-1-yl sulfate (CHEBI:83018) is conjugate base of (3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate (CHEBI:83116)
IUPAC Name
(3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate
Last Modified
23 September 2014