EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159747 - Asn-Glu-Thr

ChEBI IDCHEBI:159747
ChEBI NameAsn-Glu-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O8
Net Charge0
Average Mass362.339
Monoisotopic Mass362.14376
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C13H22N4O8/c1-5(18)10(13(24)25)17-12(23)7(2-3-9(20)21)16-11(22)6(14)4-8(15)19/h5-7,10,18H,2-4,14H2,1H3,(H2,15,19)(H,16,22)(H,17,23)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyGFFRWIJAFFMQGM-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)
Asn-Glu-Thr (CHEBI:159747) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-4-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoic acid