EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:171776 - Linalyl isobutyrate

ChEBI IDCHEBI:171776
ChEBI NameLinalyl isobutyrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H24O2
Net Charge0
Average Mass224.344
Monoisotopic Mass224.17763
SMILESC=CC(C)(CCC=C(C)C)OC(=O)C(C)C
InChIInChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3
InChIKeyJZIARAQCPRDGAC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Linalyl isobutyrate (CHEBI:171776) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate
Manual XrefsDatabases
HMDB0030426HMDB
6284ChemSpider
Registry NumbersSources
CAS:78-35-3ChemIDplus