5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid (CHEBI:187264)

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CHEBI:187264 - 5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid

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ChEBI ID	CHEBI:187264
ChEBI Name	5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H12O4
Net Charge	0
Average Mass	244.246
Monoisotopic Mass	244.07356
SMILES	CC/C=C/C#CC(=O)c1ccc(/C=C/C(=O)O)o1
InChI	InChI=1S/C14H12O4/c1-2-3-4-5-6-12(15)13-9-7-11(18-13)8-10-14(16)17/h3-4,7-10H,2H2,1H3,(H,16,17)/b4-3+,10-8+
InChIKey	ZLZFXXJOALTVDA-FJMRRMLCSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid (CHEBI:187264) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
(E)-3-[5-[(E)-hept-4-en-2-ynoyl]uran-2-yl]prop-2-enoic acid

Manual Xrefs	Databases
113368388	ChemSpider
LMFA01150045	LIPID MAPS