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CHEBI:157918 - Ala-Ala-Gln

ChEBI IDCHEBI:157918
ChEBI NameAla-Ala-Gln
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20N4O5
Net Charge0
Average Mass288.304
Monoisotopic Mass288.14337
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O5/c1-5(12)9(17)14-6(2)10(18)15-7(11(19)20)3-4-8(13)16/h5-7H,3-4,12H2,1-2H3,(H2,13,16)(H,14,17)(H,15,18)(H,19,20)/t5-,6-,7-/m0/s1
InChIKeyBUANFPRKJKJSRR-ACZMJKKPSA-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-Ala-Gln (CHEBI:157918) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
5383756ChemSpider