N-acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine (CHEBI:165883)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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-hydroxypropyl-1-methyl)-L-cysteine

ChEBI ID	CHEBI:165883

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H17NO4S

Net Charge

Average Mass

235.300

Monoisotopic Mass

235.08783

InChI

InChI=1S/C9H17NO4S/c1-7(12)10-8(9(13)14)6-15-5-3-2-4-11/h8,11H,2-6H2,1H3,(H,10,12)(H,13,14)/t8-/m0/s1

InChIKey

LHRFRIVIYPFULZ-QMMMGPOBSA-N

SMILES

S(CCCCO)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-hydroxypropyl-1-methyl)-L-cysteine (CHEBI:165883) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

(2R)-2-acetamido-3-(4-hydroxybutylsulanyl)propanoic acid