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CHEBI:172807 - Diisodityrosine

ChEBI IDCHEBI:172807
ChEBI NameDiisodityrosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H38N4O12
Net Charge0
Average Mass718.716
Monoisotopic Mass718.24862
SMILESNC(Cc1ccc(Oc2cc(CC(N)C(=O)O)cc(-c3cc(CC(N)C(=O)O)cc(Oc4ccc(CC(N)C(=O)O)cc4)c3O)c2O)cc1)C(=O)O
InChIInChI=1S/C36H38N4O12/c37-25(33(43)44)11-17-1-5-21(6-2-17)51-29-15-19(13-27(39)35(47)48)9-23(31(29)41)24-10-20(14-28(40)36(49)50)16-30(32(24)42)52-22-7-3-18(4-8-22)12-26(38)34(45)46/h1-10,15-16,25-28,41-42H,11-14,37-40H2,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
InChIKeyAEABCQUPKOOFQW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Diisodityrosine (CHEBI:172807) is a tyrosine derivative (CHEBI:62761)
IUPAC Name 
2-amino-3-[4-[5-(2-amino-2-carboxyethyl)-3-[5-(2-amino-2-carboxyethyl)-3-[4-(2-amino-2-carboxyethyl)phenoxy]-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl]propanoic acid
Manual XrefsDatabases
HMDB0029798HMDB
35013083ChemSpider