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CHEBI:158045 - His-Trp-Val

ChEBI IDCHEBI:158045
ChEBI NameHis-Trp-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H28N6O4
Net Charge0
Average Mass440.504
Monoisotopic Mass440.21720
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C22H28N6O4/c1-12(2)19(22(31)32)28-21(30)18(7-13-9-25-17-6-4-3-5-15(13)17)27-20(29)16(23)8-14-10-24-11-26-14/h3-6,9-12,16,18-19,25H,7-8,23H2,1-2H3,(H,24,26)(H,27,29)(H,28,30)(H,31,32)/t16-,18-,19-/m0/s1
InChIKeyZNTSGDNUITWTRA-WDSOQIARSA-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-Val (CHEBI:158045) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid