EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164467 - Trp-Arg-Thr

Default Structure
ChEBI IDCHEBI:164467
ChEBI NameTrp-Arg-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31N7O5
Net Charge0
Average Mass461.523
Monoisotopic Mass461.23867
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H31N7O5/c1-11(29)17(20(32)33)28-19(31)16(7-4-8-25-21(23)24)27-18(30)14(22)9-12-10-26-15-6-3-2-5-13(12)15/h2-3,5-6,10-11,14,16-17,26,29H,4,7-9,22H2,1H3,(H,27,30)(H,28,31)(H,32,33)(H4,23,24,25)/t11-,14+,16+,17+/m1/s1
InChIKeyPNHABSVRPFBUJY-UMPQAUOISA-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-Arg-Thr (CHEBI:164467) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoic acid