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CHEBI:159650 - Asn-Cys-His

ChEBI IDCHEBI:159650
ChEBI NameAsn-Cys-His
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](CS)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C13H20N6O5S/c14-7(2-10(15)20)11(21)19-9(4-25)12(22)18-8(13(23)24)1-6-3-16-5-17-6/h3,5,7-9,25H,1-2,4,14H2,(H2,15,20)(H,16,17)(H,18,22)(H,19,21)(H,23,24)/t7-,8-,9-/m0/s1
InChIKeyKGCUOPPQTPZILL-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-Cys-His (CHEBI:159650) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid