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CHEBI:161771 - Cys-Trp-Ser

ChEBI IDCHEBI:161771
ChEBI NameCys-Trp-Ser
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N4O5S
Net Charge0
Average Mass394.453
Monoisotopic Mass394.13109
SMILESN[C@@H](CS)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C17H22N4O5S/c18-11(8-27)15(23)20-13(16(24)21-14(7-22)17(25)26)5-9-6-19-12-4-2-1-3-10(9)12/h1-4,6,11,13-14,19,22,27H,5,7-8,18H2,(H,20,23)(H,21,24)(H,25,26)/t11-,13-,14-/m0/s1
InChIKeySPJRFUJMDJGDRO-UBHSHLNASA-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-Trp-Ser (CHEBI:161771) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoic acid