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CHEBI:160421 - Asp-Asp-Met

ChEBI IDCHEBI:160421
ChEBI NameAsp-Asp-Met
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O8S
Net Charge0
Average Mass379.391
Monoisotopic Mass379.10494
SMILESCSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O8S/c1-25-3-2-7(13(23)24)15-12(22)8(5-10(19)20)16-11(21)6(14)4-9(17)18/h6-8H,2-5,14H2,1H3,(H,15,22)(H,16,21)(H,17,18)(H,19,20)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyVHWNKSJHQFZJTH-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)
Asp-Asp-Met (CHEBI:160421) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-3-methylsulanylpropyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid