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CHEBI:160584 - Met-Asp-Ile

ChEBI IDCHEBI:160584
ChEBI NameMet-Asp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H27N3O6S
Net Charge0
Average Mass377.463
Monoisotopic Mass377.16206
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCSC)C(=O)O
InChIInChI=1S/C15H27N3O6S/c1-4-8(2)12(15(23)24)18-14(22)10(7-11(19)20)17-13(21)9(16)5-6-25-3/h8-10,12H,4-7,16H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t8-,9-,10-,12-/m0/s1
InChIKeyXMMWDTUFTZMQFD-GMOBBJLQSA-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-Asp-Ile (CHEBI:160584) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
57488557ChemSpider