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CHEBI:164381 - His-Cys-Thr

Default Structure
ChEBI IDCHEBI:164381
ChEBI NameHis-Cys-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H21N5O5S
Net Charge0
Average Mass359.408
Monoisotopic Mass359.12634
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C13H21N5O5S/c1-6(19)10(13(22)23)18-12(21)9(4-24)17-11(20)8(14)2-7-3-15-5-16-7/h3,5-6,8-10,19,24H,2,4,14H2,1H3,(H,15,16)(H,17,20)(H,18,21)(H,22,23)/t6-,8+,9+,10+/m1/s1
InChIKeyUJWYPUUXIAKEES-CUJWVEQBSA-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-Cys-Thr (CHEBI:164381) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-hydroxybutanoic acid