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CHEBI:161141 - Met-Trp-Ile

ChEBI IDCHEBI:161141
ChEBI NameMet-Trp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32N4O4S
Net Charge0
Average Mass448.589
Monoisotopic Mass448.21443
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CCSC)C(=O)O
InChIInChI=1S/C22H32N4O4S/c1-4-13(2)19(22(29)30)26-21(28)18(25-20(27)16(23)9-10-31-3)11-14-12-24-17-8-6-5-7-15(14)17/h5-8,12-13,16,18-19,24H,4,9-11,23H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t13-,16-,18-,19-/m0/s1
InChIKeyFAKYXUOUQCRGMO-FDARSICLSA-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-Ile (CHEBI:161141) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid