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CHEBI:160600 - Met-Asp-Trp

ChEBI IDCHEBI:160600
ChEBI NameMet-Asp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N4O6S
Net Charge0
Average Mass450.517
Monoisotopic Mass450.15731
SMILESCSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H26N4O6S/c1-31-7-6-13(21)18(27)23-15(9-17(25)26)19(28)24-16(20(29)30)8-11-10-22-14-5-3-2-4-12(11)14/h2-5,10,13,15-16,22H,6-9,21H2,1H3,(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,15-,16-/m0/s1
InChIKeyMNNKPHGAPRUKMW-BPUTZDHNSA-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-Asp-Trp (CHEBI:160600) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoic acid