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CHEBI:159851 - Asn-Ile-His

ChEBI IDCHEBI:159851
ChEBI NameAsn-Ile-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26N6O5
Net Charge0
Average Mass382.421
Monoisotopic Mass382.19647
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C16H26N6O5/c1-3-8(2)13(22-14(24)10(17)5-12(18)23)15(25)21-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,17H2,1-2H3,(H2,18,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8-,10-,11-,13-/m0/s1
InChIKeyKMCRKVOLRCOMBG-DJFWLOJKSA-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)
Asn-Ile-His (CHEBI:159851) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid