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CHEBI:163944 - Thr-His-His

ChEBI IDCHEBI:163944
ChEBI NameThr-His-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H23N7O5
Net Charge0
Average Mass393.404
Monoisotopic Mass393.17607
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C16H23N7O5/c1-8(24)13(17)15(26)22-11(2-9-4-18-6-20-9)14(25)23-12(16(27)28)3-10-5-19-7-21-10/h4-8,11-13,24H,2-3,17H2,1H3,(H,18,20)(H,19,21)(H,22,26)(H,23,25)(H,27,28)/t8-,11+,12+,13+/m1/s1
InChIKeyXSTGOZBBXFKGHA-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)
Thr-His-His (CHEBI:163944) 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]-3-(1H-imidazol-5-yl)propanoic acid