L-Cys(IAN) (CHEBI:64988)

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ChEBI Name	L-Cys(IAN)

ChEBI ID	CHEBI:64988

ChEBI ASCII Name	L-Cys(IAN)

Definition	An S-conjugate that is the S-cyano(1H-indol-3-yl)methyl derivative of L-cysteine.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H13N3O2S

Net Charge

Average Mass

275.32600

Monoisotopic Mass

275.07285

InChI

InChI=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

InChIKey

XNBDZHNCVGUXMR-NUHJPDEHSA-N

SMILES

N[C@@H](CSC(C#N)c1c[nH]c2ccccc12)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	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	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	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	Sources
Cys(IAN)	ChEBI
IAN-cysteine conjugate	MetaCyc
indole-3-acetonitrile-cysteine conjugate	MetaCyc

Registry Number	Type	Source
24684542	Reaxys Registry Number	Reaxys

Citation	Type	Source
19567706	PubMed citation	Europe PMC

Last Modified

20 November 2014