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CHEBI:159630 - Asn-Asp-Tyr

ChEBI IDCHEBI:159630
ChEBI NameAsn-Asp-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N4O8
Net Charge0
Average Mass410.383
Monoisotopic Mass410.14376
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C17H22N4O8/c18-10(6-13(19)23)15(26)20-11(7-14(24)25)16(27)21-12(17(28)29)5-8-1-3-9(22)4-2-8/h1-4,10-12,22H,5-7,18H2,(H2,19,23)(H,20,26)(H,21,27)(H,24,25)(H,28,29)/t10-,11-,12-/m0/s1
InChIKeyPAXHINASXXXILC-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)
Asn-Asp-Tyr (CHEBI:159630) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoic acid