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CHEBI:161999 - Gln-Asp-Ile

ChEBI IDCHEBI:161999
ChEBI NameGln-Asp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26N4O7
Net Charge0
Average Mass374.394
Monoisotopic Mass374.18015
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O
InChIInChI=1S/C15H26N4O7/c1-3-7(2)12(15(25)26)19-14(24)9(6-11(21)22)18-13(23)8(16)4-5-10(17)20/h7-9,12H,3-6,16H2,1-2H3,(H2,17,20)(H,18,23)(H,19,24)(H,21,22)(H,25,26)/t7-,8-,9-,12-/m0/s1
InChIKeyCRRFJBGUGNNOCS-PEFMBERDSA-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)
Gln-Asp-Ile (CHEBI:161999) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]-3-methylpentanoic acid