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CHEBI:163927 - Thr-His-Ala

ChEBI IDCHEBI:163927
ChEBI NameThr-His-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N5O5
Net Charge0
Average Mass327.341
Monoisotopic Mass327.15427
SMILESC[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)O
InChIInChI=1S/C13H21N5O5/c1-6(13(22)23)17-11(20)9(3-8-4-15-5-16-8)18-12(21)10(14)7(2)19/h4-7,9-10,19H,3,14H2,1-2H3,(H,15,16)(H,17,20)(H,18,21)(H,22,23)/t6-,7+,9-,10-/m0/s1
InChIKeySIMKLINEDYOTKL-MBLNEYKQSA-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-His-Ala (CHEBI:163927) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]propanoic acid