EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164310 - Thr-Trp-Thr

ChEBI IDCHEBI:164310
ChEBI NameThr-Trp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N4O6
Net Charge0
Average Mass406.439
Monoisotopic Mass406.18523
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C19H26N4O6/c1-9(24)15(20)18(27)22-14(17(26)23-16(10(2)25)19(28)29)7-11-8-21-13-6-4-3-5-12(11)13/h3-6,8-10,14-16,21,24-25H,7,20H2,1-2H3,(H,22,27)(H,23,26)(H,28,29)/t9-,10-,14+,15+,16+/m1/s1
InChIKeyZEJBJDHSQPOVJV-UAXMHLISSA-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-Trp-Thr (CHEBI:164310) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid