N-Acetyl-S-(2,2-dichlorovinyl)-cysteine (CHEBI:165876)

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CHEBI:165876 - N-Acetyl-S-(2,2-dichlorovinyl)-cysteine

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ChEBI ID	CHEBI:165876
ChEBI Name	N-Acetyl-S-(2,2-dichlorovinyl)-cysteine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C7H9Cl2NO3S
Net Charge	0
Average Mass	258.126
Monoisotopic Mass	256.96802
SMILES	CC(=O)N[C@H](CSC=C(Cl)Cl)C(=O)O
InChI	InChI=1S/C7H9Cl2NO3S/c1-4(11)10-5(7(12)13)2-14-3-6(8)9/h3,5H,2H2,1H3,(H,10,11)(H,12,13)/t5-/m1/s1
InChIKey	VDYGORWCAPEHPX-RXMQYKEDSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	N-Acetyl-S-(2,2-dichlorovinyl)-cysteine (CHEBI:165876) is a N-acyl-amino acid (CHEBI:51569)

IUPAC Name
(2S)-2-acetamido-3-(2,2-dichloroethenylsulanyl)propanoic acid

Manual Xrefs	Databases
115755	ChemSpider