N-Acetyl-S- (3-hydroxypropyl)-cysteine (CHEBI:165884)

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CHEBI:165884 - N-Acetyl-S- (3-hydroxypropyl)-cysteine

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ChEBI ID	CHEBI:165884
ChEBI Name	N-Acetyl-S- (3-hydroxypropyl)-cysteine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H15NO4S
Net Charge	0
Average Mass	221.278
Monoisotopic Mass	221.07218
SMILES	CC(=O)N[C@@H](CSCCCO)C(=O)O
InChI	InChI=1S/C8H15NO4S/c1-6(11)9-7(8(12)13)5-14-4-2-3-10/h7,10H,2-5H2,1H3,(H,9,11)(H,12,13)/t7-/m0/s1
InChIKey	FMWPQZPFBAHHMB-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- (3-hydroxypropyl)-cysteine (CHEBI:165884) is a N-acyl-L-amino acid (CHEBI:21644)

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

Manual Xrefs	Databases
106404	ChemSpider

Registry Numbers	Sources
CAS:23127-40-4	ChemIDplus