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CHEBI:163812 - Thr-Gln-Asp

ChEBI IDCHEBI:163812
ChEBI NameThr-Gln-Asp
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N4O8
Net Charge0
Average Mass362.339
Monoisotopic Mass362.14376
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H22N4O8/c1-5(18)10(15)12(23)16-6(2-3-8(14)19)11(22)17-7(13(24)25)4-9(20)21/h5-7,10,18H,2-4,15H2,1H3,(H2,14,19)(H,16,23)(H,17,22)(H,20,21)(H,24,25)/t5-,6+,7+,10+/m1/s1
InChIKeyWLDUCKSCDRIVLJ-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)
Thr-Gln-Asp (CHEBI:163812) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]butanedioic acid