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CHEBI:160799 - Met-His-Trp

ChEBI IDCHEBI:160799
ChEBI NameMet-His-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N6O4S
Net Charge0
Average Mass472.571
Monoisotopic Mass472.18927
SMILESCSCC[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H28N6O4S/c1-33-7-6-16(23)20(29)27-18(9-14-11-24-12-26-14)21(30)28-19(22(31)32)8-13-10-25-17-5-3-2-4-15(13)17/h2-5,10-12,16,18-19,25H,6-9,23H2,1H3,(H,24,26)(H,27,29)(H,28,30)(H,31,32)/t16-,18-,19-/m0/s1
InChIKeyABHVWYPPHDYFNY-WDSOQIARSA-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-His-Trp (CHEBI:160799) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid