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CHEBI:142239 - threonyl-3-sulfoalanine

ChEBI IDCHEBI:142239
ChEBI Namethreonyl-3-sulfoalanine
Stars
DefinitionA dipeptide resulting from the formal condensation of the carboxy group of threonine with the amino group of cysteic acid.
Last Modified8 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC7H14N2O7S
Net Charge0
Average Mass270.263
Monoisotopic Mass270.05217
SMILESCC(O)C(N)C(=O)NC(CS(=O)(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O7S/c1-3(10)5(8)6(11)9-4(7(12)13)2-17(14,15)16/h3-5,10H,2,8H2,1H3,(H,9,11)(H,12,13)(H,14,15,16)
InChIKeyBROPGEAFKQWLJV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
threonyl-3-sulfoalanine (CHEBI:142239) has functional parent cysteic acid (CHEBI:21260)
threonyl-3-sulfoalanine (CHEBI:142239) has functional parent threonine (CHEBI:26986)
threonyl-3-sulfoalanine (CHEBI:142239) is a amino sulfonic acid (CHEBI:37793)
threonyl-3-sulfoalanine (CHEBI:142239) is a dipeptide (CHEBI:46761)
IUPAC Name 
threonyl-3-sulfoalanine
Synonyms  Source
TC(Trioxidation)PubChem Compound
2-[(2-amino-3-hydroxybutanoyl)amino]-3-sulfopropanoic acidChEBI
2-(2-amino-3-hydroxybutanamido)-3-sulfopropanoic acidChEBI