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CHEBI:172058 - 2-Propenyl octanoate

ChEBI IDCHEBI:172058
ChEBI Name2-Propenyl octanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O2
Net Charge0
Average Mass184.279
Monoisotopic Mass184.14633
SMILESC=CCOC(=O)CCCCCCC
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
InChIKeyPZGMUSDNQDCNAG-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)
2-Propenyl octanoate (CHEBI:172058) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
prop-2-enyl octanoate
Manual XrefsDatabases
19046ChemSpider
HMDB0040593HMDB
LMFA07010748LIPID MAPS
Registry NumbersSources
CAS:4230-97-1ChemIDplus