EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64777 - 2-amino-Δ2-thiazoline-4-carboxylic acid

ChEBI IDCHEBI:64777
ChEBI Name2-amino-Δ2-thiazoline-4-carboxylic acid
Stars
ASCII Name2-amino-Delta(2)-thiazoline-4-carboxylic acid
DefinitionA 1,3-thiazole that is 4,5-dihydro-1,3-thiazole which is substituted at positions 2 and 4 by an amino and a carboxy group, respectively.
Last Modified1 June 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC4H6N2O2S
Net Charge0
Average Mass146.171
Monoisotopic Mass146.01500
SMILESNC1=NC(C(=O)O)CS1
InChIInChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)
InChIKeyVHPXSBIFWDAFMB-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-amino-Δ2-thiazoline-4-carboxylic acid (CHEBI:64777) is a 1,3-thiazoles (CHEBI:38418)
2-amino-Δ2-thiazoline-4-carboxylic acid (CHEBI:64777) is a sulfur-containing amino acid (CHEBI:26834)
2-amino-Δ2-thiazoline-4-carboxylic acid (CHEBI:64777) is tautomer of 2-amino-Δ2-thiazoline-4-carboxylic acid zwitterion (CHEBI:64779)
Incoming Relation(s)
D-2-amino-Δ2-thiazoline-4-carboxylic acid (CHEBI:64774) is a 2-amino-Δ2-thiazoline-4-carboxylic acid (CHEBI:64777)
L-2-amino-Δ2-thiazoline-4-carboxylic acid (CHEBI:64773) is a 2-amino-Δ2-thiazoline-4-carboxylic acid (CHEBI:64777)
2-amino-Δ2-thiazoline-4-carboxylic acid zwitterion (CHEBI:64779) is tautomer of 2-amino-Δ2-thiazoline-4-carboxylic acid (CHEBI:64777)
IUPAC Name 
2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Synonyms  Source
2-Amino-delta(2)-thiazoline-4-carboxylic acidChemIDplus
2-amino-4-carboxythiazolineChemIDplus
2-amino-2-thiazoline-4-carboxylic acidChemIDplus
Registry NumbersSources
Reaxys:82360Reaxys
CAS:2150-55-2ChemIDplus
Citations