EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164869 - Trp-Thr-Thr

ChEBI IDCHEBI:164869
ChEBI NameTrp-Thr-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H26N4O6
Net Charge0
Average Mass406.439
Monoisotopic Mass406.18523
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)[C@@H](C)O)C(=O)O
InChIInChI=1S/C19H26N4O6/c1-9(24)15(18(27)23-16(10(2)25)19(28)29)22-17(26)13(20)7-11-8-21-14-6-4-3-5-12(11)14/h3-6,8-10,13,15-16,21,24-25H,7,20H2,1-2H3,(H,22,26)(H,23,27)(H,28,29)/t9-,10-,13+,15+,16+/m1/s1
InChIKeyUPUNWAXSLPBMRK-XTWBLICNSA-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-Thr (CHEBI:164869) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid