CHEBI:187228 - 9-Octadecene-12,14,16-triynoic acid

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ChEBI Name 9-Octadecene-12,14,16-triynoic acid
ChEBI ID CHEBI:187228
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H26O2
Net Charge 0
Average Mass 274.404
Monoisotopic Mass 274.19328
InChI InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-3,8,11-17H2,1H3,(H,19,20)/b10-9+
InChIKey FCCQJXSEMADYEB-MDZDMXLPSA-N
SMILES OC(=O)CCCCCCC/C=C/CC#CC#CCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 9-Octadecene-12,14,16-triynoic acid (CHEBI:187228) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E)-octadec-9-en-12,14-diynoic acid
Manual Xrefs Databases
7822589 ChemSpider
LMFA01030740 LIPID MAPS
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