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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:50607 - dityrosine
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ChEBI Ontology
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ChEBI Name
dityrosine
ChEBI ID
CHEBI:50607
Definition
A biphenyl compound comprising two tyrosine residues linked at carbon-3 of their benzene rings.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C18H20N2O6
Net Charge
0
Average Mass
360.36128
Monoisotopic Mass
360.13214
InChI
InChI=1S/C18H20N2O6/c19-
13(17(23)
24)
7-
9-
1-
3-
15(21)
11(5-
9)
12-
6-
10(2-
4-
16(12)
22)
8-
14(20)
18(25)
26/h1-
6,13-
14,21-
22H,7-
8,19-
20H2,(H,23,24)
(H,25,26)
InChIKey
OQALFHMKVSJFRR-UHFFFAOYSA-N
SMILES
NC(Cc1ccc(O)c(c1)-c1cc(CC(N)C(O)=O)ccc1O)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
)
Application
(s):
biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dityrosine (
CHEBI:50607
)
has role
biomarker (
CHEBI:59163
)
dityrosine (
CHEBI:50607
)
is a
biphenyls (
CHEBI:22888
)
dityrosine (
CHEBI:50607
)
is a
non-proteinogenic α-amino acid (
CHEBI:83925
)
dityrosine (
CHEBI:50607
)
is a
tyrosine derivative (
CHEBI:62761
)
Incoming
N
,
N
'-diformyldityrosine (
CHEBI:50611
)
has functional parent
dityrosine (
CHEBI:50607
)
D
D
-dityrosine (
CHEBI:50610
)
is a
dityrosine (
CHEBI:50607
)
L
L
-dityrosine (
CHEBI:50609
)
is a
dityrosine (
CHEBI:50607
)
IUPAC Name
3,3'-(6,6'-dihydroxybiphenyl-3,3'-diyl)bis(2-aminopropanoic acid)
Synonyms
Sources
3,3'-dityrosine
ChEBI
α,α'-diamino-6,6'-dihydroxy-(1,1'-biphenyl)-3,3'-dipropanoic acid
ChemIDplus
bityrosine
ChemIDplus
o
,
o
-dityrosine
ChemIDplus
Registry Numbers
Types
Sources
2228674
Beilstein Registry Number
Beilstein
980-21-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
15589368
PubMed citation
Europe PMC
17019703
PubMed citation
Europe PMC
24351276
PubMed citation
Europe PMC
24573970
PubMed citation
Europe PMC
Last Modified
23 October 2015