N-Acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine (CHEBI:165885)

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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-oxo-3-carboxy-n-propyl)cysteine

ChEBI ID	CHEBI:165885

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H13NO6S

Net Charge

Average Mass

263.260

Monoisotopic Mass

263.04636

InChI

InChI=1S/C9H13NO6S/c1-5(11)10-6(8(13)14)4-17-3-2-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15,16)/t6-/m0/s1

InChIKey

AHFWWWFNCBRMIV-LURJTMIESA-N

SMILES

S(C[C@H](NC(=O)C)C(O)=O)CCC(=O)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-oxo-3-carboxy-n-propyl)cysteine (CHEBI:165885) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

4-[(2R)-2-acetamido-2-carboxyethyl]sulanyl-2-oxobutanoic acid