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CHEBI:160993 - Asp-Tyr-Asp

ChEBI IDCHEBI:160993
ChEBI NameAsp-Tyr-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21N3O9
Net Charge0
Average Mass411.367
Monoisotopic Mass411.12778
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C17H21N3O9/c18-10(6-13(22)23)15(26)19-11(5-8-1-3-9(21)4-2-8)16(27)20-12(17(28)29)7-14(24)25/h1-4,10-12,21H,5-7,18H2,(H,19,26)(H,20,27)(H,22,23)(H,24,25)(H,28,29)/t10-,11-,12-/m0/s1
InChIKeyUSENATHVGFXRNO-SRVKXCTJSA-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-Asp (CHEBI:160993) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid