Arctinal (CHEBI:231264)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Arctinal

ChEBI ID	CHEBI:231264

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H8OS2

Net Charge

Average Mass

232.320

Monoisotopic Mass

232.00166

InChI

InChI=1S/C12H8OS2/c1-2-3-9-4-6-11(14-9)12-7-5-10(8-13)15-12/h4-8H,1H3

InChIKey

ZEAXBOPUTILUGH-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	Arctinal (CHEBI:231264) is a ring assembly (CHEBI:36820) Arctinal (CHEBI:231264) is a thiophenes (CHEBI:26961)

IUPAC Name

5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carbaldehyde