N-Acetyl-S-(trichlorovinyl)-cysteine (CHEBI:165889)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-Acetyl-S-(trichlorovinyl)-cysteine

ChEBI ID	CHEBI:165889

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C7H8Cl3NO3S

Net Charge

Average Mass

292.560

Monoisotopic Mass

290.92905

InChI

InChI=1S/C7H8Cl3NO3S/c1-3(12)11-4(7(13)14)2-15-6(10)5(8)9/h4H,2H2,1H3,(H,11,12)(H,13,14)/t4-/m0/s1

InChIKey

NBGLMNHGJFSOCH-BYPYZUCNSA-N

SMILES

ClC(SC[C@H](NC(=O)C)C(O)=O)=C(Cl)Cl

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

ChEBI Ontology
Outgoing	N-Acetyl-S-(trichlorovinyl)-cysteine (CHEBI:165889) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

(2R)-2-acetamido-3-(1,2,2-trichloroethenylsulanyl)propanoic acid

Registry Number	Type	Source
111348-61-9	CAS Registry Number	ChemIDplus