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CHEBI:160612 - Met-Cys-Asp

ChEBI IDCHEBI:160612
ChEBI NameMet-Cys-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O6S2
Net Charge0
Average Mass367.449
Monoisotopic Mass367.08718
SMILESCSCC[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H21N3O6S2/c1-23-3-2-6(13)10(18)15-8(5-22)11(19)14-7(12(20)21)4-9(16)17/h6-8,22H,2-5,13H2,1H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,8-/m0/s1
InChIKeyHGKJFNCLOHKEHS-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-Cys-Asp (CHEBI:160612) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-sulanylpropanoyl]amino]butanedioic acid