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CHEBI:83112 - (4R)-4,8-dimethylnonyl hydrogen sulfate

ChEBI IDCHEBI:83112
ChEBI Name(4R)-4,8-dimethylnonyl hydrogen sulfate
Stars
ASCII Name(4R)-4,8-dimethylnonyl hydrogen sulfate
DefinitionAn alkyl sulfate that is the sulfuric ester of (4R)-4,8-dimethylnonan-1-ol.
Last Modified23 September 2014
Submitternamrata
DownloadsMolfile
FormulaC11H24O4S
Net Charge0
Average Mass252.376
Monoisotopic Mass252.13953
SMILESCC(C)CCC[C@@H](C)CCCOS(=O)(=O)O
InChIInChI=1S/C11H24O4S/c1-10(2)6-4-7-11(3)8-5-9-15-16(12,13)14/h10-11H,4-9H2,1-3H3,(H,12,13,14)/t11-/m1/s1
InChIKeyFCHHMBXKFHPMFQ-LLVKDONJSA-N
Roles Classification
Biological Roles:
kairomone  A semiochemical used for inter-species chemical communication in a way that benefits an individual of another species that receives the chemical signal.
Daphnia pulex metabolite  A Daphnia metabolite produced by the species Daphnia pulex.
ChEBI Ontology
Outgoing Relation(s)
(4R)-4,8-dimethylnonyl hydrogen sulfate (CHEBI:83112) has role Daphnia pulex metabolite (CHEBI:83075)
(4R)-4,8-dimethylnonyl hydrogen sulfate (CHEBI:83112) has role kairomone (CHEBI:83074)
(4R)-4,8-dimethylnonyl hydrogen sulfate (CHEBI:83112) is a alkyl sulfate (CHEBI:29281)
(4R)-4,8-dimethylnonyl hydrogen sulfate (CHEBI:83112) is conjugate acid of (4R)-4,8-dimethylnonyl sulfate (CHEBI:83014)
Incoming Relation(s)
(4R)-4,8-dimethylnonyl sulfate (CHEBI:83014) is conjugate base of (4R)-4,8-dimethylnonyl hydrogen sulfate (CHEBI:83112)
IUPAC Name 
(4R)-4,8-dimethylnonyl hydrogen sulfate