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CHEBI:164487 - His-Gly-Ile

ChEBI IDCHEBI:164487
ChEBI NameHis-Gly-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H23N5O4
Net Charge0
Average Mass325.369
Monoisotopic Mass325.17500
SMILESCC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C14H23N5O4/c1-3-8(2)12(14(22)23)19-11(20)6-17-13(21)10(15)4-9-5-16-7-18-9/h5,7-8,10,12H,3-4,6,15H2,1-2H3,(H,16,18)(H,17,21)(H,19,20)(H,22,23)/t8-,10-,12-/m0/s1
InChIKeyPGTISAJTWZPFGN-PEXQALLHSA-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-Gly-Ile (CHEBI:164487) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoic acid