EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159515 - Asn-Arg-Ala

ChEBI IDCHEBI:159515
ChEBI NameAsn-Arg-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H25N7O5
Net Charge0
Average Mass359.387
Monoisotopic Mass359.19172
SMILESC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C13H25N7O5/c1-6(12(24)25)19-11(23)8(3-2-4-18-13(16)17)20-10(22)7(14)5-9(15)21/h6-8H,2-5,14H2,1H3,(H2,15,21)(H,19,23)(H,20,22)(H,24,25)(H4,16,17,18)/t6-,7-,8-/m0/s1
InChIKeyVDCIPFYVCICPEC-FXQIFTODSA-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-Arg-Ala (CHEBI:159515) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]propanoic acid