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CHEBI:158224 - Ile-Asn-His

ChEBI IDCHEBI:158224
ChEBI NameIle-Asn-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26N6O5
Net Charge0
Average Mass382.421
Monoisotopic Mass382.19647
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C16H26N6O5/c1-3-8(2)13(18)15(25)21-10(5-12(17)23)14(24)22-11(16(26)27)4-9-6-19-7-20-9/h6-8,10-11,13H,3-5,18H2,1-2H3,(H2,17,23)(H,19,20)(H,21,25)(H,22,24)(H,26,27)/t8-,10-,11-,13-/m0/s1
InChIKeyIIXDMJNYALIKGP-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)
Ile-Asn-His (CHEBI:158224) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid