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CHEBI:158627 - Ala-Tyr-Phe

ChEBI IDCHEBI:158627
ChEBI NameAla-Tyr-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O5
Net Charge0
Average Mass399.447
Monoisotopic Mass399.17942
SMILESC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H25N3O5/c1-13(22)19(26)23-17(11-15-7-9-16(25)10-8-15)20(27)24-18(21(28)29)12-14-5-3-2-4-6-14/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t13-,17-,18-/m0/s1
InChIKeyJNJHNBXBGNJESC-KKXDTOCCSA-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)
Ala-Tyr-Phe (CHEBI:158627) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoic acid