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CHEBI:160212 - Asn-Tyr-His

Default Structure
ChEBI IDCHEBI:160212
ChEBI NameAsn-Tyr-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N6O6
Net Charge0
Average Mass432.437
Monoisotopic Mass432.17573
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C19H24N6O6/c20-13(7-16(21)27)17(28)24-14(5-10-1-3-12(26)4-2-10)18(29)25-15(19(30)31)6-11-8-22-9-23-11/h1-4,8-9,13-15,26H,5-7,20H2,(H2,21,27)(H,22,23)(H,24,28)(H,25,29)(H,30,31)/t13-,14-,15-/m0/s1
InChIKeyKTDWFWNZLLFEFU-KKUMJFAQSA-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-Tyr-His (CHEBI:160212) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid