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CHEBI:50607 - dityrosine

ChEBI IDCHEBI:50607
ChEBI Namedityrosine
Stars
DefinitionA biphenyl compound comprising two tyrosine residues linked at carbon-3 of their benzene rings.
Last Modified23 October 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H20N2O6
Net Charge0
Average Mass360.366
Monoisotopic Mass360.13214
SMILESNC(Cc1ccc(O)c(-c2cc(CC(N)C(=O)O)ccc2O)c1)C(=O)O
InChIInChI=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)
InChIKeyOQALFHMKVSJFRR-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
N,N'-diformyldityrosine (CHEBI:50611) has functional parent dityrosine (CHEBI:50607)
DD-dityrosine (CHEBI:50610) is a dityrosine (CHEBI:50607)
LL-dityrosine (CHEBI:50609) is a dityrosine (CHEBI:50607)
IUPAC Name 
3,3'-(6,6'-dihydroxybiphenyl-3,3'-diyl)bis(2-aminopropanoic acid)
Synonyms  Source
α,α'-diamino-6,6'-dihydroxy-(1,1'-biphenyl)-3,3'-dipropanoic acidChemIDplus
bityrosineChemIDplus
o,o-dityrosineChemIDplus
3,3'-dityrosineChEBI
Registry NumbersSources
Beilstein:2228674Beilstein
CAS:980-21-2ChemIDplus
Citations