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CHEBI:83010 - (6S)-6-methyloctan-1-ol

ChEBI IDCHEBI:83010
ChEBI Name(6S)-6-methyloctan-1-ol
Stars
ASCII Name(6S)-6-methyloctan-1-ol
DefinitionAn alkyl alcohol that is 6-methyloctane carrying a hydroxy group at position 1 (the S-stereoisomer).
Last Modified23 September 2014
DownloadsMolfile
FormulaC9H20O
Net Charge0
Average Mass144.258
Monoisotopic Mass144.15142
SMILESCC[C@H](C)CCCCCO
InChIInChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyWWRGKAMABZHMCN-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)
(6S)-6-methyloctan-1-ol (CHEBI:83010) has role Daphnia pulex metabolite (CHEBI:83075)
(6S)-6-methyloctan-1-ol (CHEBI:83010) is a alkyl alcohol (CHEBI:50584)
(6S)-6-methyloctan-1-ol (CHEBI:83010) is a primary alcohol (CHEBI:15734)
IUPAC Name 
(6S)-6-methyloctan-1-ol
Registry NumbersSources
Reaxys:5725846Reaxys
Citations