Indolokine A5 (CHEBI:216295)

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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	Indolokine A5

ChEBI ID	CHEBI:216295

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H8N2O3S

Net Charge

Average Mass

272.280

Monoisotopic Mass

272.02556

InChI

InChI=1S/C13H8N2O3S/c16-11(12-15-10(6-19-12)13(17)18)8-5-14-9-4-2-1-3-7(8)9/h1-6,14H,(H,17,18)

InChIKey

FWXYUFQKPJMQEC-UHFFFAOYSA-N

SMILES

S1C(=NC(=C1)C(=O)O)C(=O)C=2C3=C(C=CC=C3)NC2

Metabolite of Species	Details
Escherichia coli (NCBI:txid562)	See: PubMed

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	Indolokine A5 (CHEBI:216295) is a indolyl carboxylic acid (CHEBI:46867)

IUPAC Name

2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylic acid