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CHEBI:161218 - Cys-Asp-Trp

ChEBI IDCHEBI:161218
ChEBI NameCys-Asp-Trp
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N4O6S
Net Charge0
Average Mass422.463
Monoisotopic Mass422.12601
SMILESN[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C18H22N4O6S/c19-11(8-29)16(25)21-13(6-15(23)24)17(26)22-14(18(27)28)5-9-7-20-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,20,29H,5-6,8,19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t11-,13-,14-/m0/s1
InChIKeyWKELHWMCIXSVDT-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-Asp-Trp (CHEBI:161218) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoic acid