EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:160433 - Asp-Asp-Tyr

ChEBI IDCHEBI:160433
ChEBI NameAsp-Asp-Tyr
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](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C17H21N3O9/c18-10(6-13(22)23)15(26)19-11(7-14(24)25)16(27)20-12(17(28)29)5-8-1-3-9(21)4-2-8/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
InChIKeyVZNOVQKGJQJOCS-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-Asp-Tyr (CHEBI:160433) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid