EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164889 - Trp-Trp-Thr

Default Structure
ChEBI IDCHEBI:164889
ChEBI NameTrp-Trp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N5O5
Net Charge0
Average Mass491.548
Monoisotopic Mass491.21687
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C26H29N5O5/c1-14(32)23(26(35)36)31-25(34)22(11-16-13-29-21-9-5-3-7-18(16)21)30-24(33)19(27)10-15-12-28-20-8-4-2-6-17(15)20/h2-9,12-14,19,22-23,28-29,32H,10-11,27H2,1H3,(H,30,33)(H,31,34)(H,35,36)/t14-,19+,22+,23+/m1/s1
InChIKeyGQYPNFIFJRNDPY-ONUFPDRFSA-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)
Trp-Trp-Thr (CHEBI:164889) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid
Manual XrefsDatabases
57532851ChemSpider