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CHEBI:160839 - Met-Ile-Trp

ChEBI IDCHEBI:160839
ChEBI NameMet-Ile-Trp
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](N)CCSC)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H32N4O4S/c1-4-13(2)19(26-20(27)16(23)9-10-31-3)21(28)25-18(22(29)30)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,25,28)(H,26,27)(H,29,30)/t13-,16-,18-,19-/m0/s1
InChIKeyPPHLBTXVBJNKOB-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-Ile-Trp (CHEBI:160839) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid