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CHEBI:161124 - Cys-Arg-Ile

Default Structure
ChEBI IDCHEBI:161124
ChEBI NameCys-Arg-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H30N6O4S
Net Charge0
Average Mass390.510
Monoisotopic Mass390.20492
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C15H30N6O4S/c1-3-8(2)11(14(24)25)21-13(23)10(5-4-6-19-15(17)18)20-12(22)9(16)7-26/h8-11,26H,3-7,16H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)(H4,17,18,19)/t8-,9-,10-,11-/m0/s1
InChIKeyLHLSSZYQFUNWRZ-NAKRPEOUSA-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-Arg-Ile (CHEBI:161124) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid