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CHEBI:158136 - Ile-Ala-Gln

ChEBI IDCHEBI:158136
ChEBI NameIle-Ala-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N4O5
Net Charge0
Average Mass330.385
Monoisotopic Mass330.19032
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H26N4O5/c1-4-7(2)11(16)13(21)17-8(3)12(20)18-9(14(22)23)5-6-10(15)19/h7-9,11H,4-6,16H2,1-3H3,(H2,15,19)(H,17,21)(H,18,20)(H,22,23)/t7-,8-,9-,11-/m0/s1
InChIKeyYKRYHWJRQUSTKG-KBIXCLLPSA-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-Ala-Gln (CHEBI:158136) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid