EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:159674 - Asn-Gln-Ala

Default Structure
ChEBI IDCHEBI:159674
ChEBI NameAsn-Gln-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H21N5O6
Net Charge0
Average Mass331.329
Monoisotopic Mass331.14918
SMILESC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C12H21N5O6/c1-5(12(22)23)16-11(21)7(2-3-8(14)18)17-10(20)6(13)4-9(15)19/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
InChIKeyFAEFJTCTNZTPHX-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)
Asn-Gln-Ala (CHEBI:159674) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]propanoic acid