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CHEBI:83008 - (2S)-2,6-dimethylheptan-1-ol

ChEBI IDCHEBI:83008
ChEBI Name(2S)-2,6-dimethylheptan-1-ol
Stars
ASCII Name(2S)-2,6-dimethylheptan-1-ol
DefinitionThe (S)-enantiomer of 2,6-dimethylheptan-1-ol.
Last Modified23 September 2014
DownloadsMolfile
FormulaC9H20O
Net Charge0
Average Mass144.258
Monoisotopic Mass144.15142
SMILESCC(C)CCC[C@H](C)CO
InChIInChI=1S/C9H20O/c1-8(2)5-4-6-9(3)7-10/h8-10H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyRCYIBFNZRWQGNB-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Daphnia pulex (ncbitaxon:6669) - Article (Isolation and Absolute Configuration Determination of Aliphatic Sulfates as the Daphnia Kairomones Inducing Morphological Defense of a PhytoplanktonKo YASUMOTO, Akinori NISHIGAMI, Fumie KASAI, Takenori KUSUMI, and Takashi OOIChem. Pharm. Bull. 54(2) 271-274 (2006)) Isolated as the sulfate conjugate.
Roles Classification
Biological Role:
Daphnia pulex metabolite  A Daphnia metabolite produced by the species Daphnia pulex.
ChEBI Ontology
Outgoing Relation(s)
(2S)-2,6-dimethylheptan-1-ol (CHEBI:83008) is a 2,6-dimethylheptan-1-ol (CHEBI:83104)
(2S)-2,6-dimethylheptan-1-ol (CHEBI:83008) is enantiomer of (2R)-2,6-dimethylheptan-1-ol (CHEBI:83009)
Incoming Relation(s)
(2R)-2,6-dimethylheptan-1-ol (CHEBI:83009) is enantiomer of (2S)-2,6-dimethylheptan-1-ol (CHEBI:83008)
IUPAC Name 
(2S)-2,6-dimethylheptan-1-ol
Registry NumbersSources
Reaxys:1918664Reaxys
Citations