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

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

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ChEBI ID	CHEBI:165874
ChEBI Name	N-Acetyl-S-(1,2-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](CS/C(Cl)=C\Cl)C(=O)O
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

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-(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

Manual Xrefs	Databases
29786768	ChemSpider

Registry Numbers	Sources
CAS:104713-70-4	ChemIDplus