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CHEBI:160944 - Met-Met-Ile

ChEBI IDCHEBI:160944
ChEBI NameMet-Met-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H31N3O4S2
Net Charge0
Average Mass393.575
Monoisotopic Mass393.17560
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC)C(=O)O
InChIInChI=1S/C16H31N3O4S2/c1-5-10(2)13(16(22)23)19-15(21)12(7-9-25-4)18-14(20)11(17)6-8-24-3/h10-13H,5-9,17H2,1-4H3,(H,18,20)(H,19,21)(H,22,23)/t10-,11-,12-,13-/m0/s1
InChIKeyLLKWSEXLNFBKIF-CYDGBPFRSA-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-Met-Ile (CHEBI:160944) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-methylpentanoic acid