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CHEBI:160644 - Met-Cys-Val

Default Structure
ChEBI IDCHEBI:160644
ChEBI NameMet-Cys-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N3O4S2
Net Charge0
Average Mass351.494
Monoisotopic Mass351.12865
SMILESCSCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C13H25N3O4S2/c1-7(2)10(13(19)20)16-12(18)9(6-21)15-11(17)8(14)4-5-22-3/h7-10,21H,4-6,14H2,1-3H3,(H,15,17)(H,16,18)(H,19,20)/t8-,9-,10-/m0/s1
InChIKeyYKWHHKDMBZBMLG-GUBZILKMSA-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-Cys-Val (CHEBI:160644) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylbutanoic acid