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CHEBI:158038 - His-Trp-Thr

ChEBI IDCHEBI:158038
ChEBI NameHis-Trp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26N6O5
Net Charge0
Average Mass442.476
Monoisotopic Mass442.19647
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C21H26N6O5/c1-11(28)18(21(31)32)27-20(30)17(6-12-8-24-16-5-3-2-4-14(12)16)26-19(29)15(22)7-13-9-23-10-25-13/h2-5,8-11,15,17-18,24,28H,6-7,22H2,1H3,(H,23,25)(H,26,29)(H,27,30)(H,31,32)/t11-,15+,17+,18+/m1/s1
InChIKeyYERBCFWVWITTEJ-NAZCDGGXSA-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)
His-Trp-Thr (CHEBI:158038) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoic acid