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CHEBI:161295 - Cys-Gln-Trp

ChEBI IDCHEBI:161295
ChEBI NameCys-Gln-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H25N5O5S
Net Charge0
Average Mass435.506
Monoisotopic Mass435.15764
SMILESNC(=O)CC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C19H25N5O5S/c20-12(9-30)17(26)23-14(5-6-16(21)25)18(27)24-15(19(28)29)7-10-8-22-13-4-2-1-3-11(10)13/h1-4,8,12,14-15,22,30H,5-7,9,20H2,(H2,21,25)(H,23,26)(H,24,27)(H,28,29)/t12-,14-,15-/m0/s1
InChIKeyAVFGSUXQKHIQJS-QEJZJMRPSA-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-Gln-Trp (CHEBI:161295) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid