N-Acetyl-S- (3,4-dihydroxybutyl)-cysteine (CHEBI:165882)

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CHEBI:165882 - N-Acetyl-S- (3,4-dihydroxybutyl)-cysteine

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ChEBI ID	CHEBI:165882
ChEBI Name	N-Acetyl-S- (3,4-dihydroxybutyl)-cysteine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H17NO5S
Net Charge	0
Average Mass	251.304
Monoisotopic Mass	251.08274
SMILES	CC(=O)N[C@@H](CSCCC(O)CO)C(=O)O
InChI	InChI=1S/C9H17NO5S/c1-6(12)10-8(9(14)15)5-16-3-2-7(13)4-11/h7-8,11,13H,2-5H2,1H3,(H,10,12)(H,14,15)/t7?,8-/m0/s1
InChIKey	VGJNEDFZFZCLSX-MQWKRIRWSA-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- (3,4-dihydroxybutyl)-cysteine (CHEBI:165882) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name
(2R)-2-acetamido-3-(3,4-dihydroxybutylsulanyl)propanoic acid

Manual Xrefs	Databases
23976248	ChemSpider

Registry Numbers	Sources
CAS:144889-50-9	ChemIDplus