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

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ChEBI Name	(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate

ChEBI ID	CHEBI:83117

ChEBI ASCII Name	(3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate

Definition	A sulfuric ester of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-ol.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H20O4S

Net Charge

Average Mass

260.35000

Monoisotopic Mass

260.10823

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)/b4-3-,7-6-,10-9-

InChIKey

MRKQZIXMEQPHNQ-PDBXOOCHSA-N

SMILES

CC\C=C/C\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.

ChEBI Ontology
Outgoing	(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	(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

Last Modified

23 September 2014