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CHEBI:158102 - Ala-Gln-Gln

ChEBI IDCHEBI:158102
ChEBI NameAla-Gln-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N5O6
Net Charge0
Average Mass345.356
Monoisotopic Mass345.16483
SMILESC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H23N5O6/c1-6(14)11(21)17-7(2-4-9(15)19)12(22)18-8(13(23)24)3-5-10(16)20/h6-8H,2-5,14H2,1H3,(H2,15,19)(H2,16,20)(H,17,21)(H,18,22)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyRXTBLQVXNIECFP-FXQIFTODSA-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-Gln (CHEBI:158102) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid