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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:36076 -
L
-topaquinone
Main
ChEBI Ontology
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ChEBI Name
L
-topaquinone
ChEBI ID
CHEBI:36076
ChEBI ASCII Name
L-topaquinone
Definition
A topaquinone that has
S
configuration.
Stars
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)/t5-/m0/s1
InChIKey
AGMJSPIGDFKRRO-YFKPBYRVSA-N
SMILES
N[C@@H](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
L
-topaquinone (
CHEBI:36076
)
is a
non-proteinogenic
L
-α-amino acid (
CHEBI:83822
)
L
-topaquinone (
CHEBI:36076
)
is a
topaquinone (
CHEBI:36077
)
Incoming
3-{(3
E
)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-
L
-alanine (
CHEBI:39640
)
has functional parent
L
-topaquinone (
CHEBI:36076
)
L
-topaquinone residue (
CHEBI:46045
)
is substituent group from
L
-topaquinone (
CHEBI:36076
)
IUPAC Name
(2
S
)-2-amino-3-(4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)propanoic acid
Synonyms
Sources
(
S
)-α-amino-4-hydroxy-3,6-dioxo-1,4-cyclohexadiene-1-propanoic acid
ChemIDplus
6-hydroxydopa quinone
ChemIDplus
topa quinone
ChemIDplus
topaquinone
ChemIDplus
Manual Xref
Database
DB04334
DrugBank
View more database links
Registry Number
Type
Source
64192-68-3
CAS Registry Number
ChemIDplus
Last Modified
26 March 2015