N-Acetyl-S-(1,2-dichlorovinyl)-cysteine (CHEBI:165874)

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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-(1,2-dichlorovinyl)-cysteine

ChEBI ID	CHEBI:165874

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H9Cl2NO3S

Net Charge

Average Mass

258.110

Monoisotopic Mass

256.96802

InChI

InChI=1S/C7H9Cl2NO3S/c1-4(11)10-5(7(12)13)3-14-6(9)2-8/h2,5H,3H2,1H3,(H,10,11)(H,12,13)/b6-2-/t5-/m0/s1

InChIKey

LPPJGTSPIBSYQO-YLNOTJRMSA-N

SMILES

Cl/C(/SC[C@H](NC(=O)C)C(O)=O)=C/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-(1,2-dichlorovinyl)-cysteine (CHEBI:165874) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

(2R)-2-acetamido-3-[(E)-1,2-dichloroethenyl]sulanylpropanoic acid

Registry Number	Type	Source
104713-70-4	CAS Registry Number	ChemIDplus