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CHEBI:158025 - His-Trp-Ile

ChEBI IDCHEBI:158025
ChEBI NameHis-Trp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30N6O4
Net Charge0
Average Mass454.531
Monoisotopic Mass454.23285
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C23H30N6O4/c1-3-13(2)20(23(32)33)29-22(31)19(8-14-10-26-18-7-5-4-6-16(14)18)28-21(30)17(24)9-15-11-25-12-27-15/h4-7,10-13,17,19-20,26H,3,8-9,24H2,1-2H3,(H,25,27)(H,28,30)(H,29,31)(H,32,33)/t13-,17-,19-,20-/m0/s1
InChIKeyCSRRMQFXMBPSIL-SIXJUCDHSA-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-Ile (CHEBI:158025) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid