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CHEBI:161179 - Met-Tyr-His

ChEBI IDCHEBI:161179
ChEBI NameMet-Tyr-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N5O5S
Net Charge0
Average Mass449.533
Monoisotopic Mass449.17329
SMILESCSCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C20H27N5O5S/c1-31-7-6-15(21)18(27)24-16(8-12-2-4-14(26)5-3-12)19(28)25-17(20(29)30)9-13-10-22-11-23-13/h2-5,10-11,15-17,26H,6-9,21H2,1H3,(H,22,23)(H,24,27)(H,25,28)(H,29,30)/t15-,16-,17-/m0/s1
InChIKeyTWEWRDAAIYBJTO-ULQDDVLXSA-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)
Met-Tyr-His (CHEBI:161179) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid