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CHEBI:34019 - (S)-ATPA

ChEBI IDCHEBI:34019
ChEBI Name(S)-ATPA
Stars
ASCII Name(S)-ATPA
DefinitionA non-proteinogenic L-α-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-tert-butyl-3-hydroxy-isooxazol-4-yl group.
Last Modified28 November 2014
DownloadsMolfile
FormulaC10H16N2O4
Net Charge0
Average Mass228.248
Monoisotopic Mass228.11101
SMILESCC(C)(C)c1onc(O)c1C[C@H](N)C(=O)O
InChIInChI=1S/C10H16N2O4/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
InChIKeyPIXJURSCCVBKRF-LURJTMIESA-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).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(S)-ATPA (CHEBI:34019) has role metabolite (CHEBI:25212)
(S)-ATPA (CHEBI:34019) is a isoxazoles (CHEBI:55373)
(S)-ATPA (CHEBI:34019) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
IUPAC Name 
3-(5-tert-butyl-3-hydroxy-1,2-oxazol-4-yl)-L-alanine
Manual XrefsDatabases
CE2PDBeChem
Registry NumbersSources
Reaxys:7253029Reaxys