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

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ChEBI Name (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate
ChEBI ID CHEBI:83114
ChEBI ASCII Name (3S,4E)-3-methyldec-4-en-1-yl hydrogen sulfate
Definition A sulfuric ester obtained by the formal condensation of (3S,4E)-3-methyldec-4-en-1-ol with sulfuric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H22O4S
Net Charge 0
Average Mass 250.35500
Monoisotopic Mass 250.12388
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)/b8-7+/t11-/m1/s1
InChIKey QNUMXENJPAUAPZ-WSKFYRRCSA-N
SMILES CCCCC\C=C\[C@@H](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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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
Last Modified
23 September 2014