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CHEBI:157990 - Ala-Asn-Gln

ChEBI IDCHEBI:157990
ChEBI NameAla-Asn-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N5O6
Net Charge0
Average Mass331.329
Monoisotopic Mass331.14918
SMILESC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C12H21N5O6/c1-5(13)10(20)17-7(4-9(15)19)11(21)16-6(12(22)23)2-3-8(14)18/h5-7H,2-4,13H2,1H3,(H2,14,18)(H2,15,19)(H,16,21)(H,17,20)(H,22,23)/t5-,6-,7-/m0/s1
InChIKeyZEXDYVGDZJBRMO-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-Asn-Gln (CHEBI:157990) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid