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CHEBI:161385 - Cys-His-Asn

ChEBI IDCHEBI:161385
ChEBI NameCys-His-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N6O5S
Net Charge0
Average Mass372.407
Monoisotopic Mass372.12159
SMILESNC(=O)C[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C13H20N6O5S/c14-7(4-25)11(21)18-8(1-6-3-16-5-17-6)12(22)19-9(13(23)24)2-10(15)20/h3,5,7-9,25H,1-2,4,14H2,(H2,15,20)(H,16,17)(H,18,21)(H,19,22)(H,23,24)/t7-,8-,9-/m0/s1
InChIKeyVNXXMHTZQGGDSG-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-Asn (CHEBI:161385) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoic acid