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CHEBI:187028 - 13-octadecynoic acid

ChEBI IDCHEBI:187028
ChEBI Name13-octadecynoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESCCCCC#CCCCCCCCCCCCC(=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/h2-4,7-17H2,1H3,(H,19,20)
InChIKeyMGIJBVDAWHPXLV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
13-octadecynoic acid (CHEBI:187028) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
octadec-13-ynoic acid
Manual XrefsDatabases
2623347ChemSpider
LMFA01030571LIPID MAPS