CHEBI:62665 - SQ 26,992

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ChEBI Name SQ 26,992
ChEBI ID CHEBI:62665
Definition A 1,3-thiazole that is obtained via biohydrolysis of the β-lactam ring of aztreonam.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H19N5O9S2
Net Charge 0
Average Mass 453.44800
Monoisotopic Mass 453.06242
InChI InChI=1S/C13H19N5O9S2/c1-5(18-29(24,25)26)7(10(20)21)16-9(19)8(6-4-28-12(14)15-6)17-27-13(2,3)11(22)23/h4-5,7,18H,1-3H3,(H2,14,15)(H,16,19)(H,20,21)(H,22,23)(H,24,25,26)/b17-8-/t5-,7-/m0/s1
InChIKey IBLNMEMSULYOOK-VEHQQRBSSA-N
SMILES C[C@H](NS(O)(=O)=O)[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c1csc(N)n1)C(O)=O
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.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing SQ 26,992 (CHEBI:62665) has role allergen (CHEBI:50904)
SQ 26,992 (CHEBI:62665) has role metabolite (CHEBI:25212)
SQ 26,992 (CHEBI:62665) is a 1,3-thiazoles (CHEBI:38418)
SQ 26,992 (CHEBI:62665) is a dicarboxylic acid (CHEBI:35692)
SQ 26,992 (CHEBI:62665) is a sulfamic acids (CHEBI:35719)
IUPAC Name
(2S,3S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(sulfoamino)butanoic acid
Synonym Source
SQ 26992 ChemIDplus
Registry Numbers Types Sources
6165935 Reaxys Registry Number Reaxys
87500-74-1 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
1991925 PubMed citation Europe PMC
Last Modified
12 March 2019