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CHEBI:161387 - Cys-His-Asp

ChEBI IDCHEBI:161387
ChEBI NameCys-His-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H19N5O6S
Net Charge0
Average Mass373.391
Monoisotopic Mass373.10560
SMILESN[C@@H](CS)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C13H19N5O6S/c14-7(4-25)11(21)17-8(1-6-3-15-5-16-6)12(22)18-9(13(23)24)2-10(19)20/h3,5,7-9,25H,1-2,4,14H2,(H,15,16)(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t7-,8-,9-/m0/s1
InChIKeyANRWXLYGJRSQEQ-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)
Cys-His-Asp (CHEBI:161387) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid