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CHEBI:160743 - Met-Gly-Ile

Default Structure
ChEBI IDCHEBI:160743
ChEBI NameMet-Gly-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N3O4S
Net Charge0
Average Mass319.427
Monoisotopic Mass319.15658
SMILESCC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCSC)C(=O)O
InChIInChI=1S/C13H25N3O4S/c1-4-8(2)11(13(19)20)16-10(17)7-15-12(18)9(14)5-6-21-3/h8-9,11H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)(H,19,20)/t8-,9-,11-/m0/s1
InChIKeySLQDSYZHHOKQSR-QXEWZRGKSA-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-Gly-Ile (CHEBI:160743) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
8443435ChemSpider