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CHEBI:158357 - Ala-Lys-Trp

ChEBI IDCHEBI:158357
ChEBI NameAla-Lys-Trp
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29N5O4
Net Charge0
Average Mass403.483
Monoisotopic Mass403.22195
SMILESC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H29N5O4/c1-12(22)18(26)24-16(8-4-5-9-21)19(27)25-17(20(28)29)10-13-11-23-15-7-3-2-6-14(13)15/h2-3,6-7,11-12,16-17,23H,4-5,8-10,21-22H2,1H3,(H,24,26)(H,25,27)(H,28,29)/t12-,16-,17-/m0/s1
InChIKeyJWUZOJXDJDEQEM-ZLIFDBKOSA-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)
Ala-Lys-Trp (CHEBI:158357) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Manual XrefsDatabases
57554726ChemSpider