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CHEBI:160505 - Asp-Gln-Thr

ChEBI IDCHEBI:160505
ChEBI NameAsp-Gln-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(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C13H22N4O8/c1-5(18)10(13(24)25)17-12(23)7(2-3-8(15)19)16-11(22)6(14)4-9(20)21/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
InChIKeyKIJLEFNHWSXHRU-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-Gln-Thr (CHEBI:160505) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-5-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid