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CHEBI:158461 - Ile-His-Glu

ChEBI IDCHEBI:158461
ChEBI NameIle-His-Glu
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H27N5O6
Net Charge0
Average Mass397.432
Monoisotopic Mass397.19613
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C17H27N5O6/c1-3-9(2)14(18)16(26)22-12(6-10-7-19-8-20-10)15(25)21-11(17(27)28)4-5-13(23)24/h7-9,11-12,14H,3-6,18H2,1-2H3,(H,19,20)(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t9-,11-,12-,14-/m0/s1
InChIKeyYKLOMBNBQUTJDT-HVTMNAMFSA-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-Glu (CHEBI:158461) 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]pentanedioic acid