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CHEBI:158472 - Ile-His-Lys

ChEBI IDCHEBI:158472
ChEBI NameIle-His-Lys
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Last Modified20 March 2025
SubmitterMetaboLights
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FormulaC18H32N6O4
Net Charge0
Average Mass396.492
Monoisotopic Mass396.24850
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C18H32N6O4/c1-3-11(2)15(20)17(26)24-14(8-12-9-21-10-22-12)16(25)23-13(18(27)28)6-4-5-7-19/h9-11,13-15H,3-8,19-20H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)(H,27,28)/t11-,13-,14-,15-/m0/s1
InChIKeyYBGTWSFIGHUWQE-MXAVVETBSA-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-His-Lys (CHEBI:158472) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoic acid
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