EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164172 - Thr-Pro-Asn

ChEBI IDCHEBI:164172
ChEBI NameThr-Pro-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O6
Net Charge0
Average Mass330.341
Monoisotopic Mass330.15393
SMILESC[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C13H22N4O6/c1-6(18)10(15)12(21)17-4-2-3-8(17)11(20)16-7(13(22)23)5-9(14)19/h6-8,10,18H,2-5,15H2,1H3,(H2,14,19)(H,16,20)(H,22,23)/t6-,7+,8+,10+/m1/s1
InChIKeyNYQIZWROIMIQSL-VEVYYDQMSA-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)
Thr-Pro-Asn (CHEBI:164172) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid