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CHEBI:161123 - Met-Thr-Val

ChEBI IDCHEBI:161123
ChEBI NameMet-Thr-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H27N3O5S
Net Charge0
Average Mass349.453
Monoisotopic Mass349.16714
SMILESCSCC[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)[C@@H](C)O
InChIInChI=1S/C14H27N3O5S/c1-7(2)10(14(21)22)16-13(20)11(8(3)18)17-12(19)9(15)5-6-23-4/h7-11,18H,5-6,15H2,1-4H3,(H,16,20)(H,17,19)(H,21,22)/t8-,9+,10+,11+/m1/s1
InChIKeyZBLSZPYQQRIHQU-RCWTZXSCSA-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-Thr-Val (CHEBI:161123) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid