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CHEBI:64988 - L-Cys(IAN)

ChEBI IDCHEBI:64988
ChEBI NameL-Cys(IAN)
Stars
ASCII NameL-Cys(IAN)
DefinitionAn S-conjugate that is the S-cyano(1H-indol-3-yl)methyl derivative of L-cysteine.
Last Modified20 November 2014
Submittermwilliams
DownloadsMolfile
FormulaC13H13N3O2S
Net Charge0
Average Mass275.333
Monoisotopic Mass275.07285
SMILESN#CC(SC[C@H](N)C(=O)O)c1cnc2ccccc12
InChIInChI=1S/C13H13N3O2S/c14-5-12(19-7-10(15)13(17)18)9-6-16-11-4-2-1-3-8(9)11/h1-4,6,10,12,16H,7,15H2,(H,17,18)/t10-,12?/m0/s1
InChIKeyXNBDZHNCVGUXMR-NUHJPDEHSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
L-Cys(IAN) (CHEBI:64988) has functional parent indole-3-acetonitrile (CHEBI:17566)
L-Cys(IAN) (CHEBI:64988) has role plant metabolite (CHEBI:76924)
L-Cys(IAN) (CHEBI:64988) is a S-conjugate (CHEBI:64987)
L-Cys(IAN) (CHEBI:64988) is a L-cysteine thioether (CHEBI:27532)
L-Cys(IAN) (CHEBI:64988) is a indoles (CHEBI:24828)
L-Cys(IAN) (CHEBI:64988) is a nitrile (CHEBI:18379)
L-Cys(IAN) (CHEBI:64988) is tautomer of L-Cys(IAN) zwitterion (CHEBI:79191)
Incoming Relation(s)
L-Cys(IAN) zwitterion (CHEBI:79191) is tautomer of L-Cys(IAN) (CHEBI:64988)
IUPAC Name 
S-[cyano(1H-indol-3-yl)methyl]-L-cysteine
Synonyms  Source
IAN-cysteine conjugateMetaCyc
indole-3-acetonitrile-cysteine conjugateMetaCyc
Cys(IAN)ChEBI
Manual XrefsDatabases
CPD-12636MetaCyc
Registry NumbersSources
Reaxys:24684542Reaxys
Citations