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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-Acetyl-S- (3,4-dihydroxybutyl)-cysteine

ChEBI ID	CHEBI:165882

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H17NO5S

Net Charge

Average Mass

251.300

Monoisotopic Mass

251.08274

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

SMILES

S(CCC(O)CO)C[C@H](NC(=O)C)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
144889-50-9	CAS Registry Number	ChemIDplus