EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83076 - (3E)-dec-3-en-1-yl hydrogen sulfate

ChEBI IDCHEBI:83076
ChEBI Name(3E)-dec-3-en-1-yl hydrogen sulfate
Stars
ASCII Name(3E)-dec-3-en-1-yl hydrogen sulfate
DefinitionA sulfuric ester obtained by the formal condensation of (3E)-dec-3-en-1-ol with sulfuric acid.
Last Modified23 September 2014
Submitternamrata
DownloadsMolfile
FormulaC10H20O4S
Net Charge0
Average Mass236.333
Monoisotopic Mass236.10823
SMILESCCCCCC/C=C/CCOS(=O)(=O)O
InChIInChI=1S/C10H20O4S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h7-8H,2-6,9-10H2,1H3,(H,11,12,13)/b8-7+
InChIKeyWSBCIWCIAPMFLY-BQYQJAHWSA-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)
(3E)-dec-3-en-1-yl hydrogen sulfate (CHEBI:83076) has role Daphnia pulex metabolite (CHEBI:83075)
(3E)-dec-3-en-1-yl hydrogen sulfate (CHEBI:83076) has role kairomone (CHEBI:83074)
(3E)-dec-3-en-1-yl hydrogen sulfate (CHEBI:83076) is a organic sulfate (CHEBI:25704)
(3E)-dec-3-en-1-yl hydrogen sulfate (CHEBI:83076) is a sulfuric ester (CHEBI:26819)
(3E)-dec-3-en-1-yl hydrogen sulfate (CHEBI:83076) is conjugate acid of (3E)-dec-3-en-1-yl sulfate (CHEBI:82992)
Incoming Relation(s)
(3E)-dec-3-en-1-yl sulfate (CHEBI:82992) is conjugate base of (3E)-dec-3-en-1-yl hydrogen sulfate (CHEBI:83076)
IUPAC Name 
(3E)-dec-3-en-1-yl hydrogen sulfate
Registry NumbersSources
Reaxys:8134607Reaxys