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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	5-((E)-hept-4-en-2-yne-1-one-1-yl)-2-furanacrylic acid

ChEBI ID	CHEBI:187264

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H12O4

Net Charge

Average Mass

244.246

Monoisotopic Mass

244.07356

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

SMILES

O1C(=CC=C1C(=O)C#C\C=C\CC)/C=C/C(O)=O

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 )

ChEBI Ontology
Outgoing	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