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CHEBI:163683 - Thr-Arg-Trp

Default Structure
ChEBI IDCHEBI:163683
ChEBI NameThr-Arg-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H31N7O5
Net Charge0
Average Mass461.523
Monoisotopic Mass461.23867
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H31N7O5/c1-11(29)17(22)19(31)27-15(7-4-8-25-21(23)24)18(30)28-16(20(32)33)9-12-10-26-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-17,26,29H,4,7-9,22H2,1H3,(H,27,31)(H,28,30)(H,32,33)(H4,23,24,25)/t11-,15+,16+,17+/m1/s1
InChIKeyVOGXLRKCWFLJBY-HSHDSVGOSA-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)
Thr-Arg-Trp (CHEBI:163683) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid