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CHEBI:161981 - Gln-Asp-Ala

ChEBI IDCHEBI:161981
ChEBI NameGln-Asp-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O7
Net Charge0
Average Mass332.313
Monoisotopic Mass332.13320
SMILESC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O
InChIInChI=1S/C12H20N4O7/c1-5(12(22)23)15-11(21)7(4-9(18)19)16-10(20)6(13)2-3-8(14)17/h5-7H,2-4,13H2,1H3,(H2,14,17)(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyCYTSBCIIEHUPDU-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)
Gln-Asp-Ala (CHEBI:161981) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxyethyl]amino]-3-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid