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CHEBI:164541 - His-His-Thr

Default Structure
ChEBI IDCHEBI:164541
ChEBI NameHis-His-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23N7O5
Net Charge0
Average Mass393.404
Monoisotopic Mass393.17607
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C16H23N7O5/c1-8(24)13(16(27)28)23-15(26)12(3-10-5-19-7-21-10)22-14(25)11(17)2-9-4-18-6-20-9/h4-8,11-13,24H,2-3,17H2,1H3,(H,18,20)(H,19,21)(H,22,25)(H,23,26)(H,27,28)/t8-,11+,12+,13+/m1/s1
InChIKeyCNHSMSFYVARZLI-YJRXYDGGSA-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-His-Thr (CHEBI:164541) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoic acid