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CHEBI:161236 - Met-Val-Thr

ChEBI IDCHEBI:161236
ChEBI NameMet-Val-Thr
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@@H](C)O)C(C)C
InChIInChI=1S/C14H27N3O5S/c1-7(2)10(16-12(19)9(15)5-6-23-4)13(20)17-11(8(3)18)14(21)22/h7-11,18H,5-6,15H2,1-4H3,(H,16,19)(H,17,20)(H,21,22)/t8-,9+,10+,11+/m1/s1
InChIKeyIIHMNTBFPMRJCN-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-Val-Thr (CHEBI:161236) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid