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CHEBI:158253 - Ala-Ile-Gln

ChEBI IDCHEBI:158253
ChEBI NameAla-Ile-Gln
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](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C14H26N4O5/c1-4-7(2)11(18-12(20)8(3)15)13(21)17-9(14(22)23)5-6-10(16)19/h7-9,11H,4-6,15H2,1-3H3,(H2,16,19)(H,17,21)(H,18,20)(H,22,23)/t7-,8-,9-,11-/m0/s1
InChIKeyGSHKMNKPMLXSQW-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-Ile-Gln (CHEBI:158253) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid