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CHEBI:160455 - Asp-Cys-Ile

ChEBI IDCHEBI:160455
ChEBI NameAsp-Cys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H23N3O6S
Net Charge0
Average Mass349.409
Monoisotopic Mass349.13076
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C13H23N3O6S/c1-3-6(2)10(13(21)22)16-12(20)8(5-23)15-11(19)7(14)4-9(17)18/h6-8,10,23H,3-5,14H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)(H,21,22)/t6-,7-,8-,10-/m0/s1
InChIKeyWJHYGGVCWREQMO-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)
Asp-Cys-Ile (CHEBI:160455) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylpentanoic acid