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CHEBI:159779 - Lys-Asn-Trp

ChEBI IDCHEBI:159779
ChEBI NameLys-Asn-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N6O5
Net Charge0
Average Mass446.508
Monoisotopic Mass446.22777
SMILESNCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H30N6O5/c22-8-4-3-6-14(23)19(29)26-16(10-18(24)28)20(30)27-17(21(31)32)9-12-11-25-15-7-2-1-5-13(12)15/h1-2,5,7,11,14,16-17,25H,3-4,6,8-10,22-23H2,(H2,24,28)(H,26,29)(H,27,30)(H,31,32)/t14-,16-,17-/m0/s1
InChIKeyJBRWKVANRYPCAF-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)
Lys-Asn-Trp (CHEBI:159779) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid