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CHEBI:163694 - Thr-Asn-Asp

ChEBI IDCHEBI:163694
ChEBI NameThr-Asn-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N4O8
Net Charge0
Average Mass348.312
Monoisotopic Mass348.12811
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C12H20N4O8/c1-4(17)9(14)11(22)15-5(2-7(13)18)10(21)16-6(12(23)24)3-8(19)20/h4-6,9,17H,2-3,14H2,1H3,(H2,13,18)(H,15,22)(H,16,21)(H,19,20)(H,23,24)/t4-,5+,6+,9+/m1/s1
InChIKeyYLXAMFZYJTZXFH-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)
Thr-Asn-Asp (CHEBI:163694) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid