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CHEBI:160545 - Asp-Glu-Thr

ChEBI IDCHEBI:160545
ChEBI NameAsp-Glu-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N3O9
Net Charge0
Average Mass363.323
Monoisotopic Mass363.12778
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C13H21N3O9/c1-5(17)10(13(24)25)16-12(23)7(2-3-8(18)19)15-11(22)6(14)4-9(20)21/h5-7,10,17H,2-4,14H2,1H3,(H,15,22)(H,16,23)(H,18,19)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyXDGBFDYXZCMYEX-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)
Asp-Glu-Thr (CHEBI:160545) is a tripeptide (CHEBI:47923)
IUPAC Name 
(4S)-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-5-oxopentanoic acid