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CHEBI:161164 - Cys-Asn-Ile

ChEBI IDCHEBI:161164
ChEBI NameCys-Asn-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24N4O5S
Net Charge0
Average Mass348.425
Monoisotopic Mass348.14674
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C13H24N4O5S/c1-3-6(2)10(13(21)22)17-12(20)8(4-9(15)18)16-11(19)7(14)5-23/h6-8,10,23H,3-5,14H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyDCXGXDGGXVZVMY-GHCJXIJMSA-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-Asn-Ile (CHEBI:161164) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-4-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoic acid