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CHEBI:50609 - LL-dityrosine

Default Structure
ChEBI IDCHEBI:50609
ChEBI NameLL-dityrosine
Stars
ASCII NameLL-dityrosine
Last Modified12 September 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H20N2O6
Net Charge0
Average Mass360.366
Monoisotopic Mass360.13214
SMILESN[C@@H](Cc1ccc(O)c(-c2cc(C[C@H](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)/t13-,14-/m0/s1
InChIKeyOQALFHMKVSJFRR-KBPBESRZSA-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).
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)
LL-dityrosine (CHEBI:50609) is a dityrosine (CHEBI:50607)
LL-dityrosine (CHEBI:50609) is enantiomer of DD-dityrosine (CHEBI:50610)
Incoming Relation(s)
DD-dityrosine (CHEBI:50610) is enantiomer of LL-dityrosine (CHEBI:50609)
IUPAC Name 
(2S,2'S)-3,3'-(6,6'-dihydroxybiphenyl-3,3'-diyl)bis(2-aminopropanoic acid)
Synonym  Source
3,3'-di-L-tyrosineChEBI
Registry NumbersSources
Beilstein:4912450Beilstein