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

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ChEBI Name	(3S,4E)-3-methyldec-4-en-1-yl sulfate

ChEBI ID	CHEBI:83015

ChEBI ASCII Name	(3S,4E)-3-methyldec-4-en-1-yl sulfate

Definition	An 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.

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

Supplier Information

Download	Molfile XML SDF

Formula

C11H21O4S

Net Charge

-1

Average Mass

249.34800

Monoisotopic Mass

249.11660

InChI

InChI=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

InChIKey

QNUMXENJPAUAPZ-WSKFYRRCSA-M

SMILES

CCCCC\C=C\[C@@H](C)CCOS([O-])(=O)=O

Metabolite of Species	Details
Daphnia pulex (NCBI:txid6669)	See: 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 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	(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	(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 Number	Type	Source
15883653	Reaxys Registry Number	Reaxys

Citation	Type	Source
18175993	PubMed citation	Europe PMC

Last Modified

23 September 2014