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CHEBI:46205 - 4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate

ChEBI IDCHEBI:46205
ChEBI Name4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate
Stars
ASCII Name4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate
Last Modified28 November 2014
DownloadsMolfile
FormulaC10H16N2O3S
Net Charge0
Average Mass244.316
Monoisotopic Mass244.08816
SMILES[H]OC(=O)[C@]([H])(C([H])([H])c1c([O-])nsc1C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])[N+]([H])([H])[H]
InChIInChI=1S/C10H16N2O3S/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)/t6-/m0/s1
InChIKeyFHWOAQCPEFTDOQ-LURJTMIESA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate (CHEBI:46205) is a 1,2-thiazoles (CHEBI:48902)
4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olate (CHEBI:46205) is a ammonium betaine (CHEBI:35284)
Synonyms  Source
(S)-2-AMINO-3-(3-HYDROXY-5-TERT-BUTYLISOTHIAZOL-4-YL) PROPIONIC ACIDChEBI
4-[(2S)-2-ammonio-2-carboxyethyl]-5-tert-butylisothiazol-3-olatePDBeChem
Manual XrefsDatabases
U1KPDBeChem