CHEBI:83108 - 2,6-dimethylheptyl hydrogen sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,6-dimethylheptyl hydrogen sulfate
ChEBI ID CHEBI:83108
Definition An alkyl sulfate that is the sulfuric ester of 2,6-dimethylheptan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H20O4S
Net Charge 0
Average Mass 224.31800
Monoisotopic Mass 224.10823
InChI InChI=1S/C9H20O4S/c1-8(2)5-4-6-9(3)7-13-14(10,11)12/h8-9H,4-7H2,1-3H3,(H,10,11,12)
InChIKey LICTUMJMBMBMQH-UHFFFAOYSA-N
SMILES CC(C)CCCC(C)COS(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 2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) has functional parent 2,6-dimethylheptan-1-ol (CHEBI:83104)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) has role Daphnia pulex metabolite (CHEBI:83075)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) has role kairomone (CHEBI:83074)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) is a alkyl sulfate (CHEBI:29281)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) is conjugate acid of 2,6-dimethylheptyl sulfate (CHEBI:83107)
Incoming (2R)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83110) is a 2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108)
(2S)-2,6-dimethylheptyl hydrogen sulfate (CHEBI:83109) is a 2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108)
2,6-dimethylheptyl sulfate (CHEBI:83107) is conjugate base of 2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108)
IUPAC Name
2,6-dimethylheptyl hydrogen sulfate
Last Modified
23 September 2014