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CHEBI:160566 - Met-Asp-Ala

ChEBI IDCHEBI:160566
ChEBI NameMet-Asp-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6S
Net Charge0
Average Mass335.382
Monoisotopic Mass335.11511
SMILESCSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C12H21N3O6S/c1-6(12(20)21)14-11(19)8(5-9(16)17)15-10(18)7(13)3-4-22-2/h6-8H,3-5,13H2,1-2H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyUZVWDRPUTHXQAM-FXQIFTODSA-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-Ala (CHEBI:160566) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid