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CHEBI:158465 - Ile-His-His

ChEBI IDCHEBI:158465
ChEBI NameIle-His-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N7O4
Net Charge0
Average Mass405.459
Monoisotopic Mass405.21245
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C18H27N7O4/c1-3-10(2)15(19)17(27)24-13(4-11-6-20-8-22-11)16(26)25-14(18(28)29)5-12-7-21-9-23-12/h6-10,13-15H,3-5,19H2,1-2H3,(H,20,22)(H,21,23)(H,24,27)(H,25,26)(H,28,29)/t10-,13-,14-,15-/m0/s1
InChIKeyAMSYMDIIIRJRKZ-HJPIBITLSA-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-His (CHEBI:158465) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid