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CHEBI:159626 - Asn-Asp-Thr

ChEBI IDCHEBI:159626
ChEBI NameAsn-Asp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O8
Net Charge0
Average Mass348.312
Monoisotopic Mass348.12811
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C12H20N4O8/c1-4(17)9(12(23)24)16-11(22)6(3-8(19)20)15-10(21)5(13)2-7(14)18/h4-6,9,17H,2-3,13H2,1H3,(H2,14,18)(H,15,21)(H,16,22)(H,19,20)(H,23,24)/t4-,5+,6+,9+/m1/s1
InChIKeyXQQVCUIBGYFKDC-OLHMAJIHSA-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-Asp-Thr (CHEBI:159626) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-oxobutanoic acid