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CHEBI:160778 - Asp-Met-Ser

Default Structure
ChEBI IDCHEBI:160778
ChEBI NameAsp-Met-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O7S
Net Charge0
Average Mass351.381
Monoisotopic Mass351.11002
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C12H21N3O7S/c1-23-3-2-7(11(20)15-8(5-16)12(21)22)14-10(19)6(13)4-9(17)18/h6-8,16H,2-5,13H2,1H3,(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t6-,7-,8-/m0/s1
InChIKeyIOXWDLNHXZOXQP-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-Met-Ser (CHEBI:160778) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-methylsulanyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid