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CHEBI:83114 - (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate

ChEBI IDCHEBI:83114
ChEBI Name(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate
Stars
ASCII Name(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate
DefinitionA sulfuric ester obtained by the formal condensation of (3S,4E)-3-methyldec-4-en-1-ol with sulfuric acid.
Last Modified23 September 2014
Submitternamrata
DownloadsMolfile
FormulaC11H22O4S
Net Charge0
Average Mass250.360
Monoisotopic Mass250.12388
SMILESCCCCC/C=C/[C@@H](C)CCOS(=O)(=O)O
InChIInChI=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)/b8-7+/t11-/m1/s1
InChIKeyQNUMXENJPAUAPZ-WSKFYRRCSA-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)
(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate (CHEBI:83114) has role Daphnia pulex metabolite (CHEBI:83075)
(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate (CHEBI:83114) has role kairomone (CHEBI:83074)
(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate (CHEBI:83114) is a organic sulfate (CHEBI:25704)
(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate (CHEBI:83114) is a sulfuric ester (CHEBI:26819)
(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)
Incoming Relation(s)
(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)
IUPAC Name 
(3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate