EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159795 - Asn-His-Ala

ChEBI IDCHEBI:159795
ChEBI NameAsn-His-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N6O5
Net Charge0
Average Mass340.340
Monoisotopic Mass340.14952
SMILESC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C13H20N6O5/c1-6(13(23)24)18-12(22)9(2-7-4-16-5-17-7)19-11(21)8(14)3-10(15)20/h4-6,8-9H,2-3,14H2,1H3,(H2,15,20)(H,16,17)(H,18,22)(H,19,21)(H,23,24)/t6-,8-,9-/m0/s1
InChIKeyRAKKBBHMTJSXOY-XVYDVKMFSA-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-His-Ala (CHEBI:159795) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid