N-Acetyl-S-(N-allylthiocarbamoyl)cysteine (CHEBI:176439)

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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-(N-allylthiocarbamoyl)cysteine

ChEBI ID	CHEBI:176439

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H14N2O3S2

Net Charge

Average Mass

262.340

Monoisotopic Mass

262.04458

InChI

InChI=1S/C9H14N2O3S2/c1-3-4-10-9(15)16-5-7(8(13)14)11-6(2)12/h3,7H,1,4-5H2,2H3,(H,10,15)(H,11,12)(H,13,14)/t7-/m0/s1

InChIKey

DJFUZUUKZXAXBZ-ZETCQYMHSA-N

SMILES

S(C[C@H](NC(=O)C)C(O)=O)C(=S)NCC=C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

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-(N-allylthiocarbamoyl)cysteine (CHEBI:176439) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name

(2R)-2-acetamido-3-(prop-2-enylcarbamothioylsulanyl)propanoic acid

Registry Number	Type	Source
87321-45-7	CAS Registry Number	ChemIDplus