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CHEBI:160572 - Met-Asp-Asp

ChEBI IDCHEBI:160572
ChEBI NameMet-Asp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O8S
Net Charge0
Average Mass379.391
Monoisotopic Mass379.10494
SMILESCSCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O8S/c1-25-3-2-6(14)11(21)15-7(4-9(17)18)12(22)16-8(13(23)24)5-10(19)20/h6-8H,2-5,14H2,1H3,(H,15,21)(H,16,22)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyTUSOIZOVPJCMFC-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-Asp (CHEBI:160572) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid