EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164096 - Thr-Met-Cys

Default Structure
ChEBI IDCHEBI:164096
ChEBI NameThr-Met-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23N3O5S2
Net Charge0
Average Mass353.466
Monoisotopic Mass353.10791
SMILESCSCC[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C12H23N3O5S2/c1-6(16)9(13)11(18)14-7(3-4-22-2)10(17)15-8(5-21)12(19)20/h6-9,16,21H,3-5,13H2,1-2H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7+,8+,9+/m1/s1
InChIKeyOWQKBXKXZFRRQL-XGEHTFHBSA-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-Met-Cys (CHEBI:164096) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-sulanylpropanoic acid