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CHEBI:158217 - Ile-Asn-Gln

ChEBI IDCHEBI:158217
ChEBI NameIle-Asn-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H27N5O6
Net Charge0
Average Mass373.410
Monoisotopic Mass373.19613
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C15H27N5O6/c1-3-7(2)12(18)14(24)20-9(6-11(17)22)13(23)19-8(15(25)26)4-5-10(16)21/h7-9,12H,3-6,18H2,1-2H3,(H2,16,21)(H2,17,22)(H,19,23)(H,20,24)(H,25,26)/t7-,8-,9-,12-/m0/s1
InChIKeyPJLLMGWWINYQPB-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)
Ile-Asn-Gln (CHEBI:158217) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid