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ChEBI
> Main
CHEBI:36077 - topaquinone
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ChEBI Ontology
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ChEBI Name
topaquinone
ChEBI ID
CHEBI:36077
Definition
A non-proteinogenic α-amino acid that is alanine substituted at position 3 by a 2-hydroxy-1,4-benzoquinon-5-yl group.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H9NO5
Net Charge
0
Average Mass
211.17150
Monoisotopic Mass
211.04807
InChI
InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,13H,1,10H2,(H,14,15)
InChIKey
AGMJSPIGDFKRRO-UHFFFAOYSA-N
SMILES
NC(CC1=CC(=O)C(O)=CC1=O)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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
topaquinone (
CHEBI:36077
)
is a
monohydroxy-1,4-benzoquinones (
CHEBI:67273
)
topaquinone (
CHEBI:36077
)
is a
non-proteinogenic α-amino acid (
CHEBI:83925
)
topaquinone (
CHEBI:36077
)
is tautomer of
topaquinone zwitterion (
CHEBI:68431
)
Incoming
L
-topaquinone (
CHEBI:36076
)
is a
topaquinone (
CHEBI:36077
)
topaquinone zwitterion (
CHEBI:68431
)
is tautomer of
topaquinone (
CHEBI:36077
)
IUPAC Name
2-amino-3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid
Synonym
Source
2,4,5-trihydroxyphenylalanine quinone
ChEBI
Registry Numbers
Types
Sources
2850806
Reaxys Registry Number
Reaxys
2850806
Beilstein Registry Number
Beilstein
Last Modified
02 June 2016