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CHEBI:158098 - Ala-Gln-Asp

ChEBI IDCHEBI:158098
ChEBI NameAla-Gln-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O7
Net Charge0
Average Mass332.313
Monoisotopic Mass332.13320
SMILESC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H20N4O7/c1-5(13)10(20)15-6(2-3-8(14)17)11(21)16-7(12(22)23)4-9(18)19/h5-7H,2-4,13H2,1H3,(H2,14,17)(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyNKJBKNVQHBZUIX-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-Gln-Asp (CHEBI:158098) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid