EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:158617 - Ala-Tyr-His

ChEBI IDCHEBI:158617
ChEBI NameAla-Tyr-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N5O5
Net Charge0
Average Mass389.412
Monoisotopic Mass389.16992
SMILESC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C18H23N5O5/c1-10(19)16(25)22-14(6-11-2-4-13(24)5-3-11)17(26)23-15(18(27)28)7-12-8-20-9-21-12/h2-5,8-10,14-15,24H,6-7,19H2,1H3,(H,20,21)(H,22,25)(H,23,26)(H,27,28)/t10-,14-,15-/m0/s1
InChIKeyVYMJAWXRWHJIMS-LKTVYLICSA-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-His (CHEBI:158617) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid