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CHEBI:83104 - 2,6-dimethylheptan-1-ol

Default Structure
ChEBI IDCHEBI:83104
ChEBI Name2,6-dimethylheptan-1-ol
Stars
DefinitionAn alkyl alcohol that is 2,6-dimethylheptane carrying a hydroxy group at position 1.
Last Modified23 September 2014
Submitternamrata
DownloadsMolfile
FormulaC9H20O
Net Charge0
Average Mass144.258
Monoisotopic Mass144.15142
SMILESCC(C)CCCC(C)CO
InChIInChI=1S/C9H20O/c1-8(2)5-4-6-9(3)7-10/h8-10H,4-7H2,1-3H3
InChIKeyRCYIBFNZRWQGNB-UHFFFAOYSA-N
Roles Classification
Biological Role:
Daphnia pulex metabolite  A Daphnia metabolite produced by the species Daphnia pulex.
ChEBI Ontology
Outgoing Relation(s)
2,6-dimethylheptan-1-ol (CHEBI:83104) has role Daphnia pulex metabolite (CHEBI:83075)
2,6-dimethylheptan-1-ol (CHEBI:83104) is a alkyl alcohol (CHEBI:50584)
2,6-dimethylheptan-1-ol (CHEBI:83104) is a primary alcohol (CHEBI:15734)
Incoming Relation(s)
2,6-dimethylheptyl hydrogen sulfate (CHEBI:83108) has functional parent 2,6-dimethylheptan-1-ol (CHEBI:83104)
(2R)-2,6-dimethylheptan-1-ol (CHEBI:83009) is a 2,6-dimethylheptan-1-ol (CHEBI:83104)
(2S)-2,6-dimethylheptan-1-ol (CHEBI:83008) is a 2,6-dimethylheptan-1-ol (CHEBI:83104)
IUPAC Name 
2,6-dimethylheptan-1-ol