EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:160040 - Asn-Pro-Asn

ChEBI IDCHEBI:160040
ChEBI NameAsn-Pro-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]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C13H21N5O6/c14-6(4-9(15)19)12(22)18-3-1-2-8(18)11(21)17-7(13(23)24)5-10(16)20/h6-8H,1-5,14H2,(H2,15,19)(H2,16,20)(H,17,21)(H,23,24)/t6-,7-,8-/m0/s1
InChIKeyJTXVXGXTRXMOFJ-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-Pro-Asn (CHEBI:160040) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
Manual XrefsDatabases
57532606ChemSpider