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CHEBI:158110 - Ala-Gln-Ile

ChEBI IDCHEBI:158110
ChEBI NameAla-Gln-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N4O5
Net Charge0
Average Mass330.385
Monoisotopic Mass330.19032
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C14H26N4O5/c1-4-7(2)11(14(22)23)18-13(21)9(5-6-10(16)19)17-12(20)8(3)15/h7-9,11H,4-6,15H2,1-3H3,(H2,16,19)(H,17,20)(H,18,21)(H,22,23)/t7-,8-,9-,11-/m0/s1
InChIKeyFVSOUJZKYWEFOB-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)
Ala-Gln-Ile (CHEBI:158110) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid