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CHEBI:157985 - His-Thr-Ile

ChEBI IDCHEBI:157985
ChEBI NameHis-Thr-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H27N5O5
Net Charge0
Average Mass369.422
Monoisotopic Mass369.20122
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cncn1)[C@@H](C)O)C(=O)O
InChIInChI=1S/C16H27N5O5/c1-4-8(2)12(16(25)26)20-15(24)13(9(3)22)21-14(23)11(17)5-10-6-18-7-19-10/h6-9,11-13,22H,4-5,17H2,1-3H3,(H,18,19)(H,20,24)(H,21,23)(H,25,26)/t8-,9+,11-,12-,13-/m0/s1
InChIKeyXVZJRZQIHJMUBG-TUBUOCAGSA-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)
His-Thr-Ile (CHEBI:157985) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid