EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164873 - Trp-Trp-Ala

ChEBI IDCHEBI:164873
ChEBI NameTrp-Trp-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27N5O4
Net Charge0
Average Mass461.522
Monoisotopic Mass461.20630
SMILESC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C25H27N5O4/c1-14(25(33)34)29-24(32)22(11-16-13-28-21-9-5-3-7-18(16)21)30-23(31)19(26)10-15-12-27-20-8-4-2-6-17(15)20/h2-9,12-14,19,22,27-28H,10-11,26H2,1H3,(H,29,32)(H,30,31)(H,33,34)/t14-,19-,22-/m0/s1
InChIKeyCUHBVKUVJIXRFK-DVXDUOKCSA-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-Ala (CHEBI:164873) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoic acid
Manual XrefsDatabases
57529072ChemSpider