CHEBI:34019 - (S)-ATPA

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ChEBI Name (S)-ATPA
ChEBI ID CHEBI:34019
ChEBI ASCII Name (S)-ATPA
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H16N2O4
Net Charge 0
Average Mass 228.24500
Monoisotopic Mass 228.11101
InChI InChI=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
InChIKey PIXJURSCCVBKRF-LURJTMIESA-N
SMILES CC(C)(C)c1onc(O)c1C[C@H](N)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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 (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 Xref Database
CE2 PDBeChem
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Registry Number Type Source
7253029 Reaxys Registry Number Reaxys
Last Modified
28 November 2014