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CHEBI:160453 - Asp-Cys-His

Default Structure
ChEBI IDCHEBI:160453
ChEBI NameAsp-Cys-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19N5O6S
Net Charge0
Average Mass373.391
Monoisotopic Mass373.10560
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C13H19N5O6S/c14-7(2-10(19)20)11(21)18-9(4-25)12(22)17-8(13(23)24)1-6-3-15-5-16-6/h3,5,7-9,25H,1-2,4,14H2,(H,15,16)(H,17,22)(H,18,21)(H,19,20)(H,23,24)/t7-,8-,9-/m0/s1
InChIKeyIAMNNSSEBXDJMN-CIUDSAMLSA-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)
Asp-Cys-His (CHEBI:160453) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2R)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-4-oxobutanoic acid