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CHEBI:165738 - 3-ethyl-3-methyldecane

ChEBI IDCHEBI:165738
ChEBI Name3-ethyl-3-methyldecane
Stars
DefinitionAn alkane that is decane in which the two methylene hydrogens at position 3 have been replaced by a methyl group and an ethyl group.
Last Modified22 February 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H28
Net Charge0
Average Mass184.367
Monoisotopic Mass184.21910
SMILESCCCCCCCC(C)(CC)CC
InChIInChI=1S/C13H28/c1-5-8-9-10-11-12-13(4,6-2)7-3/h5-12H2,1-4H3
InChIKeyXIVQUUGRQDHITC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Juniperus formosana (ncbitaxon:453927) leaf (BTO:0000713) PubMed (27092485)
Microcoleus vaginatus (ncbitaxon:119532) - DOI (10.1023/A:1011385220331)
Cinnamomum aromaticum (ncbitaxon:119260) bark (BTO:0001301) DOI (10.1016/j.indcrop.2012.04.056)
Origanum vulgare (ncbitaxon:39352) - DOI (10.1016/j.foodcont.2020.107473)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
3-ethyl-3-methyldecane (CHEBI:165738) has role bacterial metabolite (CHEBI:76969)
3-ethyl-3-methyldecane (CHEBI:165738) has role plant metabolite (CHEBI:76924)
3-ethyl-3-methyldecane (CHEBI:165738) has role volatile oil component (CHEBI:27311)
3-ethyl-3-methyldecane (CHEBI:165738) is a alkane (CHEBI:18310)
IUPAC Name 
3-ethyl-3-methyldecane
Synonym  Source
3-methyl-3-ethyldecaneLIPID MAPS
Manual XrefsDatabases
LMFA11000703LIPID MAPS
474944ChemSpider
Registry NumbersSources
CAS:17312-66-2ChEBI
Citations