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CHEBI:55444 - 2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid

ChEBI IDCHEBI:55444
ChEBI Name2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
Stars
Definition1,3-Thiazolidine substituted with methyl groups at C-2, -5 and -5 and with a carboxy group at C-4, representing the thiazolidine ring of a generalised penicillin structure.
Last Modified12 March 2019
Submitterzjosephs
DownloadsMolfile
FormulaC7H13NO2S
Net Charge0
Average Mass175.253
Monoisotopic Mass175.06670
SMILESCC1NC(C(=O)O)C(C)(C)S1
InChIInChI=1S/C7H13NO2S/c1-4-8-5(6(9)10)7(2,3)11-4/h4-5,8H,1-3H3,(H,9,10)
InChIKeyMQQSPQRNCBFBSG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid (CHEBI:55444) has role allergen (CHEBI:50904)
2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid (CHEBI:55444) is a monocarboxylic acid (CHEBI:25384)
2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid (CHEBI:55444) is a thiazolidines (CHEBI:35622)
IUPAC Name 
2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
Synonyms  Source
trimethylthiazolidin-4-carboxilic acidChEBI
trimethylthiazolidin-4-carboxylic acidChEBI
THZChEBI
thyazolidineChEBI
THYAZChEBI
Registry NumbersSources
Reaxys:124512Reaxys
CAS:18455-58-8ChemIDplus
Citations