2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid (CHEBI:183755)

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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	2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid

ChEBI ID	CHEBI:183755

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H15NO2S

Net Charge

Average Mass

189.270

Monoisotopic Mass

189.08235

InChI

InChI=1S/C8H15NO2S/c1-8(2,3)7-9-5(4-12-7)6(10)11/h5,7,9H,4H2,1-3H3,(H,10,11)

InChIKey

XCEINABKQJDSRC-UHFFFAOYSA-N

SMILES

S1C(NC(C1)C(O)=O)C(C)(C)C

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study

ChEBI Ontology
Outgoing	2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid (CHEBI:183755) has functional parent α-amino acid (CHEBI:33704) 2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid (CHEBI:183755) is a organonitrogen compound (CHEBI:35352) 2-(tert-butyl)-1,3-thiazolane-4-carboxylic acid (CHEBI:183755) is a organooxygen compound (CHEBI:36963)

IUPAC Name

2-tert-butyl-1,3-thiazolidine-4-carboxylic acid