CHEBI:172041 - Methyl 2-undecynoate

ChEBI IDCHEBI:172041
ChEBI NameMethyl 2-undecynoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O2
Net Charge0
Average Mass196.290
Monoisotopic Mass196.14633
SMILESCCCCCCCCC#CC(=O)OC
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3
InChIKeyYPUZOJRRZPRXNV-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)
Methyl 2-undecynoate (CHEBI:172041) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
methyl undec-2-ynoate
Manual XrefsDatabases
55444ChemSpider
HMDB0030945HMDB
LMFA07010946LIPID MAPS
Registry NumbersSources
CAS:10522-18-6ChemIDplus