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CHEBI:185864 - Ethyl octynecarboxylate

ChEBI IDCHEBI:185864
ChEBI NameEthyl octynecarboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18O2
Net Charge0
Average Mass182.263
Monoisotopic Mass182.13068
SMILESCCCCCCC#CC(=O)OCC
InChIInChI=1S/C11H18O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-8H2,1-2H3
InChIKeyBFZNMUGAZYAMTG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Ethyl octynecarboxylate (CHEBI:185864) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
ethyl non-2-ynoate
Manual XrefsDatabases
55374ChemSpider
HMDB0036215HMDB
LMFA07010879LIPID MAPS
Registry NumbersSources
CAS:10031-92-2ChemIDplus