N-Acetyl-S-(2-cyanoethyl)-cysteine (CHEBI:165879)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:165879 - N-Acetyl-S-(2-cyanoethyl)-cysteine

Take structure to advanced search

ChEBI ID	CHEBI:165879
ChEBI Name	N-Acetyl-S-(2-cyanoethyl)-cysteine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H12N2O3S
Net Charge	0
Average Mass	216.262
Monoisotopic Mass	216.05686
SMILES	CC(=O)N[C@@H](CSCCC#N)C(=O)O
InChI	InChI=1S/C8H12N2O3S/c1-6(11)10-7(8(12)13)5-14-4-2-3-9/h7H,2,4-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKey	VDKVYEUEJCNDHM-ZETCQYMHSA-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-cyanoethyl)-cysteine (CHEBI:165879) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name
(2R)-2-acetamido-3-(2-cyanoethylsulanyl)propanoic acid

Manual Xrefs	Databases
102777	ChemSpider

Registry Numbers	Sources
CAS:74514-75-3	ChemIDplus