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CHEBI:158380 - Ile-Glu-Gln

ChEBI IDCHEBI:158380
ChEBI NameIle-Glu-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28N4O7
Net Charge0
Average Mass388.421
Monoisotopic Mass388.19580
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C16H28N4O7/c1-3-8(2)13(18)15(25)19-9(5-7-12(22)23)14(24)20-10(16(26)27)4-6-11(17)21/h8-10,13H,3-7,18H2,1-2H3,(H2,17,21)(H,19,25)(H,20,24)(H,22,23)(H,26,27)/t8-,9-,10-,13-/m0/s1
InChIKeyLGMUPVWZEYYUMU-YVNDNENWSA-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-Glu-Gln (CHEBI:158380) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid