(E)-5-(hexa-3,5-dien-1-yn-1-yl)-5'-(prop-1-yn-1-yl)-2,2'-bithiophene (CHEBI:187524)

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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	(E)-5-(hexa-3,5-dien-1-yn-1-yl)-5'-(prop-1-yn-1-yl)-2,2'-bithiophene

ChEBI ID	CHEBI:187524

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C17H12S2

Net Charge

Average Mass

280.400

Monoisotopic Mass

280.03804

InChI

InChI=1S/C17H12S2/c1-3-5-6-7-9-15-11-13-17(19-15)16-12-10-14(18-16)8-4-2/h3,5-6,10-13H,1H2,2H3/b6-5+

InChIKey

FIYQLXXCXBAQCP-AATRIKPKSA-N

SMILES

S1C(C=2SC(=CC2)C#CC)=CC=C1C#C/C=C/C=C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	(E)-5-(hexa-3,5-dien-1-yn-1-yl)-5'-(prop-1-yn-1-yl)-2,2'-bithiophene (CHEBI:187524) is a ring assembly (CHEBI:36820) (E)-5-(hexa-3,5-dien-1-yn-1-yl)-5'-(prop-1-yn-1-yl)-2,2'-bithiophene (CHEBI:187524) is a thiophenes (CHEBI:26961)

IUPAC Name

2-[(3E)-hexa-3,5-dien-1-ynyl]-5-(5-prop-1-ynylthiophen-2-yl)thiophene