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CHEBI:156316 - lavendiol

ChEBI IDCHEBI:156316
ChEBI Namelavendiol
Stars
DefinitionAn olefinic compound that is (6E,8E,10E)-dodeca-6,8,10-trien-5-one substituted by a hydroxy group at positions 1 and 3S, and by a methyl group at position 4. It is a polyketide synthesized by a silent biosynthetic gene cluster from Streptomyces lavendulae.
Last Modified14 August 2020
SubmitterMartin Larralde
DownloadsMolfile
FormulaC13H20O3
Net Charge0
Average Mass224.300
Monoisotopic Mass224.14124
SMILESC/C=C/C=C/C=C/C(=O)C(C)[C@@H](O)CCO
InChIInChI=1S/C13H20O3/c1-3-4-5-6-7-8-12(15)11(2)13(16)9-10-14/h3-8,11,13-14,16H,9-10H2,1-2H3/b4-3+,6-5+,8-7+/t11?,13-/m0/s1
InChIKeyAHQBPWBTLZUYGY-KFAZBBEMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces lavendulae (ncbitaxon:1914) - PubMed (29255990) Strain: FRI-5
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
lavendiol (CHEBI:156316) has role bacterial metabolite (CHEBI:76969)
lavendiol (CHEBI:156316) is a diol (CHEBI:23824)
lavendiol (CHEBI:156316) is a enone (CHEBI:51689)
lavendiol (CHEBI:156316) is a olefinic compound (CHEBI:78840)
lavendiol (CHEBI:156316) is a polyketide (CHEBI:26188)
lavendiol (CHEBI:156316) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
(3S,6E,8E,10E)-1,3-dihydroxy-4-methyldodeca-6,8,10-trien-5-one
Synonym  Source
(3S,6E,8E,10E)-1,3-dihydroxy-4-methyl-6,8,10-dodecatrien-5-oneChEBI
Citations