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CHEBI:164528 - His-His-Ile

Default Structure
ChEBI IDCHEBI:164528
ChEBI NameHis-His-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N7O4
Net Charge0
Average Mass405.459
Monoisotopic Mass405.21245
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C18H27N7O4/c1-3-10(2)15(18(28)29)25-17(27)14(5-12-7-21-9-23-12)24-16(26)13(19)4-11-6-20-8-22-11/h6-10,13-15H,3-5,19H2,1-2H3,(H,20,22)(H,21,23)(H,24,26)(H,25,27)(H,28,29)/t10-,13-,14-,15-/m0/s1
InChIKeySYIPVNMWBZXKMU-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)
His-His-Ile (CHEBI:164528) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid