EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161333 - Cys-Glu-Thr

ChEBI IDCHEBI:161333
ChEBI NameCys-Glu-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N3O7S
Net Charge0
Average Mass351.381
Monoisotopic Mass351.11002
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C12H21N3O7S/c1-5(16)9(12(21)22)15-11(20)7(2-3-8(17)18)14-10(19)6(13)4-23/h5-7,9,16,23H,2-4,13H2,1H3,(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t5-,6+,7+,9+/m1/s1
InChIKeyBDWIZLQVVWQMTB-XKBZYTNZSA-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)
Cys-Glu-Thr (CHEBI:161333) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-oxopentanoic acid