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CHEBI:161129 - Met-Trp-Asn

ChEBI IDCHEBI:161129
ChEBI NameMet-Trp-Asn
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N5O5S
Net Charge0
Average Mass449.533
Monoisotopic Mass449.17329
SMILESCSCC[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C20H27N5O5S/c1-31-7-6-13(21)18(27)24-15(19(28)25-16(20(29)30)9-17(22)26)8-11-10-23-14-5-3-2-4-12(11)14/h2-5,10,13,15-16,23H,6-9,21H2,1H3,(H2,22,26)(H,24,27)(H,25,28)(H,29,30)/t13-,15-,16-/m0/s1
InChIKeyWYNIRYZIFZGWQD-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-Trp-Asn (CHEBI:161129) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid