EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168485 - Methyl 2-octynoate

ChEBI IDCHEBI:168485
ChEBI NameMethyl 2-octynoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H14O2
Net Charge0
Average Mass154.209
Monoisotopic Mass154.09938
SMILESCCCCCC#CC(=O)OC
InChIInChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3
InChIKeyFRLZQXRXIKQFNS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Methyl 2-octynoate (CHEBI:168485) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl oct-2-ynoate
Manual XrefsDatabases
7801ChemSpider
HMDB0031302HMDB
LMFA07010945LIPID MAPS
Registry NumbersSources
CAS:111-12-6ChemIDplus