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CHEBI:158537 - Ala-Thr-His

ChEBI IDCHEBI:158537
ChEBI NameAla-Thr-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N5O5
Net Charge0
Average Mass327.341
Monoisotopic Mass327.15427
SMILESC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cncn1)C(=O)O)[C@@H](C)O
InChIInChI=1S/C13H21N5O5/c1-6(14)11(20)18-10(7(2)19)12(21)17-9(13(22)23)3-8-4-15-5-16-8/h4-7,9-10,19H,3,14H2,1-2H3,(H,15,16)(H,17,21)(H,18,20)(H,22,23)/t6-,7+,9-,10-/m0/s1
InChIKeyAAWLEICNDUHIJM-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)
Ala-Thr-His (CHEBI:158537) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid