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CHEBI:160128 - Asn-Thr-Glu

Default Structure
ChEBI IDCHEBI:160128
ChEBI NameAsn-Thr-Glu
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](N)CC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C13H22N4O8/c1-5(18)10(17-11(22)6(14)4-8(15)19)12(23)16-7(13(24)25)2-3-9(20)21/h5-7,10,18H,2-4,14H2,1H3,(H2,15,19)(H,16,23)(H,17,22)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyZUFPUBYQYWCMDB-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-Thr-Glu (CHEBI:160128) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]pentanedioic acid
Manual XrefsDatabases
8122676ChemSpider