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CHEBI:161415 - Cys-His-Trp

ChEBI IDCHEBI:161415
ChEBI NameCys-His-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N6O4S
Net Charge0
Average Mass444.517
Monoisotopic Mass444.15797
SMILESN[C@@H](CS)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H24N6O4S/c21-14(9-31)18(27)25-16(6-12-8-22-10-24-12)19(28)26-17(20(29)30)5-11-7-23-15-4-2-1-3-13(11)15/h1-4,7-8,10,14,16-17,23,31H,5-6,9,21H2,(H,22,24)(H,25,27)(H,26,28)(H,29,30)/t14-,16-,17-/m0/s1
InChIKeyUXBYDFKFHMYYPL-XIRDDKMYSA-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)
Cys-His-Trp (CHEBI:161415) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid