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ChEBI
> Main
CHEBI:34019 - (
S
)-ATPA
Main
ChEBI Ontology
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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.
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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 (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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
View more database links
Registry Number
Type
Source
7253029
Reaxys Registry Number
Reaxys
Last Modified
28 November 2014