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CHEBI:161023 - Asp-Tyr-Tyr

ChEBI IDCHEBI:161023
ChEBI NameAsp-Tyr-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O8
Net Charge0
Average Mass459.455
Monoisotopic Mass459.16416
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C22H25N3O8/c23-16(11-19(28)29)20(30)24-17(9-12-1-5-14(26)6-2-12)21(31)25-18(22(32)33)10-13-3-7-15(27)8-4-13/h1-8,16-18,26-27H,9-11,23H2,(H,24,30)(H,25,31)(H,28,29)(H,32,33)/t16-,17-,18-/m0/s1
InChIKeyALMIMUZAWTUNIO-BZSNNMDCSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asp-Tyr-Tyr (CHEBI:161023) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid