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CHEBI:161012 - Met-Pro-Asp

ChEBI IDCHEBI:161012
ChEBI NameMet-Pro-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23N3O6S
Net Charge0
Average Mass361.420
Monoisotopic Mass361.13076
SMILESCSCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C14H23N3O6S/c1-24-6-4-8(15)13(21)17-5-2-3-10(17)12(20)16-9(14(22)23)7-11(18)19/h8-10H,2-7,15H2,1H3,(H,16,20)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1
InChIKeyWYDFQSJOARJAMM-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-Pro-Asp (CHEBI:161012) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulanylbutanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid
Manual XrefsDatabases
8100755ChemSpider