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

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ChEBI Name (2S)-2,6-dimethylheptan-1-ol ChEBI ID CHEBI:83008 ChEBI ASCII Name (2S)-2,6-dimethylheptan-1-ol Definition The (S)-enantiomer of 2,6-dimethylheptan-1-ol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H20O Net Charge 0 Average Mass 144.25450 Monoisotopic Mass 144.15142 InChI InChI=1S/C9H20O/c1-8(2)5-4-6-9(3)7-10/h8-10H,4-7H2,1-3H3/t9-/m0/s1 InChIKey RCYIBFNZRWQGNB-VIFPVBQESA-N SMILES CC(C)CCC[C@H](C)CO Metabolite of Species Details Daphnia pulex (NCBI:txid6669) Isolated as the sulfate conjugate. See: 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) Roles Classification Biological Role(s): Daphnia pulex metabolite A Daphnia metabolite produced by the species Daphnia pulex. (via 2,6-dimethylheptan-1-ol ) View more via ChEBI Ontology ChEBI Ontology Outgoing (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 (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 Number Type Source 1918664 Reaxys Registry Number Reaxys Citation Type Source 16462083 PubMed citation Europe PMC Last Modified 23 September 2014