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CHEBI:160725 - Asp-Lys-His

Default Structure
ChEBI IDCHEBI:160725
ChEBI NameAsp-Lys-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26N6O6
Net Charge0
Average Mass398.420
Monoisotopic Mass398.19138
SMILESNCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C16H26N6O6/c17-4-2-1-3-11(21-14(25)10(18)6-13(23)24)15(26)22-12(16(27)28)5-9-7-19-8-20-9/h7-8,10-12H,1-6,17-18H2,(H,19,20)(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t10-,11-,12-/m0/s1
InChIKeyAKKUDRZKFZWPBH-SRVKXCTJSA-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)
Asp-Lys-His (CHEBI:160725) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid