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CHEBI:193366 - 12-octadecynoic acid

ChEBI IDCHEBI:193366
ChEBI Name12-octadecynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESCCCCCC#CCCCCCCCCCCC(=O)O
InChIInChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-5,8-17H2,1H3,(H,19,20)
InChIKeyUTJWKGZXCAQRPW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
12-octadecynoic acid (CHEBI:193366) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
octadec-12-ynoic acid
Manual XrefsDatabases
LMFA01030570LIPID MAPS
2623346ChemSpider