EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162102 - Pro-Asn-Asn

ChEBI IDCHEBI:162102
ChEBI NamePro-Asn-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N5O6
Net Charge0
Average Mass343.340
Monoisotopic Mass343.14918
SMILESNC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C13H21N5O6/c14-9(19)4-7(17-11(21)6-2-1-3-16-6)12(22)18-8(13(23)24)5-10(15)20/h6-8,16H,1-5H2,(H2,14,19)(H2,15,20)(H,17,21)(H,18,22)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyWWAQEUOYCYMGHB-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)
Pro-Asn-Asn (CHEBI:162102) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
8466604ChemSpider