EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:163784 - Thr-Cys-Ile

ChEBI IDCHEBI:163784
ChEBI NameThr-Cys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N3O5S
Net Charge0
Average Mass335.426
Monoisotopic Mass335.15149
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C13H25N3O5S/c1-4-6(2)10(13(20)21)16-11(18)8(5-22)15-12(19)9(14)7(3)17/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
InChIKeyZLNWJMRLHLGKFX-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)
Thr-Cys-Ile (CHEBI:163784) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylpentanoic acid