EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:163851 - Thr-Glu-Asn

ChEBI IDCHEBI:163851
ChEBI NameThr-Glu-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O8
Net Charge0
Average Mass362.339
Monoisotopic Mass362.14376
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C13H22N4O8/c1-5(18)10(15)12(23)16-6(2-3-9(20)21)11(22)17-7(13(24)25)4-8(14)19/h5-7,10,18H,2-4,15H2,1H3,(H2,14,19)(H,16,23)(H,17,22)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyCQNFRKAKGDSJFR-NUMRIWBASA-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-Glu-Asn (CHEBI:163851) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-5-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-4-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoic acid