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CHEBI:171841 - Hexyl 2-methyl-4-pentenoate

ChEBI IDCHEBI:171841
ChEBI NameHexyl 2-methyl-4-pentenoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O2
Net Charge0
Average Mass198.306
Monoisotopic Mass198.16198
SMILESC=CCC(C)C(=O)OCCCCCC
InChIInChI=1S/C12H22O2/c1-4-6-7-8-10-14-12(13)11(3)9-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyGEDRGVNPMIOGRX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
Hexyl 2-methyl-4-pentenoate (CHEBI:171841) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
hexyl 2-methylpent-4-enoate
Manual XrefsDatabases
32700413ChemSpider
HMDB0040163HMDB
LMFA07010905LIPID MAPS
Registry NumbersSources
CAS:58031-03-1ChemIDplus