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CHEBI:161133 - Met-Trp-Gln

ChEBI IDCHEBI:161133
ChEBI NameMet-Trp-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N5O5S
Net Charge0
Average Mass463.560
Monoisotopic Mass463.18894
SMILESCSCC[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C21H29N5O5S/c1-32-9-8-14(22)19(28)26-17(10-12-11-24-15-5-3-2-4-13(12)15)20(29)25-16(21(30)31)6-7-18(23)27/h2-5,11,14,16-17,24H,6-10,22H2,1H3,(H2,23,27)(H,25,29)(H,26,28)(H,30,31)/t14-,16-,17-/m0/s1
InChIKeyRKRFGIBULDYDPF-XIRDDKMYSA-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-Gln (CHEBI:161133) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid