2-thienylacetic acid (CHEBI:45807)

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ChEBI Name	2-thienylacetic acid

ChEBI ID	CHEBI:45807

Definition	A thiophene compound having a carboxymethyl group at the 2-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:45803, CHEBI:9540

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Formula

C6H6O2S

Net Charge

Average Mass

142.17664

Monoisotopic Mass

142.00885

InChI

InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)

InChIKey

SMJRBWINMFUUDS-UHFFFAOYSA-N

SMILES

OC(=O)Cc1cccs1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.

ChEBI Ontology
Outgoing	2-thienylacetic acid (CHEBI:45807) has functional parent acetic acid (CHEBI:15366) 2-thienylacetic acid (CHEBI:45807) has role allergen (CHEBI:50904) 2-thienylacetic acid (CHEBI:45807) is a monocarboxylic acid (CHEBI:25384) 2-thienylacetic acid (CHEBI:45807) is a thiophenes (CHEBI:26961) 2-thienylacetic acid (CHEBI:45807) is conjugate acid of thien-2-ylacetate (CHEBI:32403)

Incoming	methyl 3-[2-(2-thienyl)acetamido]thiophene-2-carboxylate (CHEBI:90543) has functional parent 2-thienylacetic acid (CHEBI:45807) thien-2-ylacetate (CHEBI:32403) is conjugate base of 2-thienylacetic acid (CHEBI:45807)

IUPAC Name

2-(thiophen-2-yl)acetic acid

Last Modified

08 March 2019