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CHEBI:160389 - Asp-Asn-Thr

ChEBI IDCHEBI:160389
ChEBI NameAsp-Asn-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(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C12H20N4O8/c1-4(17)9(12(23)24)16-11(22)6(3-7(14)18)15-10(21)5(13)2-8(19)20/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
InChIKeyXACXDSRQIXRMNS-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)
Asp-Asn-Thr (CHEBI:160389) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-4-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1,4-dioxobutan-2-yl]amino]-4-oxobutanoic acid