EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164858 - Trp-Thr-Gln

ChEBI IDCHEBI:164858
ChEBI NameTrp-Thr-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N5O6
Net Charge0
Average Mass433.465
Monoisotopic Mass433.19613
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C20H27N5O6/c1-10(26)17(19(29)24-15(20(30)31)6-7-16(22)27)25-18(28)13(21)8-11-9-23-14-5-3-2-4-12(11)14/h2-5,9-10,13,15,17,23,26H,6-8,21H2,1H3,(H2,22,27)(H,24,29)(H,25,28)(H,30,31)/t10-,13+,15+,17+/m1/s1
InChIKeyJTMZSIRTZKLBOA-NWLDYVSISA-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-Thr-Gln (CHEBI:164858) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoic acid