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CHEBI:158776 - Ile-Thr-Cys

ChEBI IDCHEBI:158776
ChEBI NameIle-Thr-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N3O5S
Net Charge0
Average Mass335.426
Monoisotopic Mass335.15149
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@H](C)O
InChIInChI=1S/C13H25N3O5S/c1-4-6(2)9(14)11(18)16-10(7(3)17)12(19)15-8(5-22)13(20)21/h6-10,17,22H,4-5,14H2,1-3H3,(H,15,19)(H,16,18)(H,20,21)/t6-,7+,8-,9-,10-/m0/s1
InChIKeyRKQAYOWLSFLJEE-SVSWQMSJSA-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)
Ile-Thr-Cys (CHEBI:158776) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S,3R)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulanylpropanoic acid