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CHEBI:50611 - N,N'-diformyldityrosine

ChEBI IDCHEBI:50611
ChEBI NameN,N'-diformyldityrosine
Stars
ASCII NameN,N'-diformyldityrosine
Last Modified21 January 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC20H20N2O8
Net Charge0
Average Mass416.386
Monoisotopic Mass416.12197
SMILES[H]C(=O)NC(Cc1ccc(O)c(-c2cc(CC(NC([H])=O)C(=O)O)ccc2O)c1)C(=O)O
InChIInChI=1S/C20H20N2O8/c23-9-21-15(19(27)28)7-11-1-3-17(25)13(5-11)14-6-12(2-4-18(14)26)8-16(20(29)30)22-10-24/h1-6,9-10,15-16,25-26H,7-8H2,(H,21,23)(H,22,24)(H,27,28)(H,29,30)
InChIKeyOUNKRBSXIMLJRR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
N,N'-diformyldityrosine (CHEBI:50611) has functional parent dityrosine (CHEBI:50607)
N,N'-diformyldityrosine (CHEBI:50611) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
N,N'-diformyldityrosine (CHEBI:50611) is a N-formyl amino acid (CHEBI:50759)
N,N'-diformyldityrosine (CHEBI:50611) is a biphenyls (CHEBI:22888)
IUPAC Name 
3,3'-(6,6'-dihydroxybiphenyl-3,3'-diyl)bis[2-(formylamino)propanoic acid]
Synonym  Source
N,N'-bisformyl dityrosineChEBI