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CHEBI:158831 - Ile-Trp-Lys

ChEBI IDCHEBI:158831
ChEBI NameIle-Trp-Lys
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC23H35N5O4
Net Charge0
Average Mass445.564
Monoisotopic Mass445.26890
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C23H35N5O4/c1-3-14(2)20(25)22(30)28-19(12-15-13-26-17-9-5-4-8-16(15)17)21(29)27-18(23(31)32)10-6-7-11-24/h4-5,8-9,13-14,18-20,26H,3,6-7,10-12,24-25H2,1-2H3,(H,27,29)(H,28,30)(H,31,32)/t14-,18-,19-,20-/m0/s1
InChIKeyVBGCPJBKUXRYDA-DSYPUSFNSA-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)
Ile-Trp-Lys (CHEBI:158831) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
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