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CHEBI:159803 - Asn-His-Cys

Default Structure
ChEBI IDCHEBI:159803
ChEBI NameAsn-His-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20N6O5S
Net Charge0
Average Mass372.407
Monoisotopic Mass372.12159
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C13H20N6O5S/c14-7(2-10(15)20)11(21)18-8(1-6-3-16-5-17-6)12(22)19-9(4-25)13(23)24/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
InChIKeyOFQPMRDJVWLMNJ-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)
Asn-His-Cys (CHEBI:159803) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulanylpropanoic acid