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CHEBI:176454 - Sulforaphane-N-Acetylcysteine

ChEBI IDCHEBI:176454
ChEBI NameSulforaphane-N-Acetylcysteine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20N2O4S3
Net Charge0
Average Mass340.492
Monoisotopic Mass340.05852
SMILESCC(=O)NC(CSC(=S)NCCCCS(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4S3/c1-8(14)13-9(10(15)16)7-19-11(18)12-5-3-4-6-20(2)17/h9H,3-7H2,1-2H3,(H,12,18)(H,13,14)(H,15,16)
InChIKeyIIHBKTCHILXGOT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sulforaphane-N-Acetylcysteine (CHEBI:176454) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-acetamido-3-(4-methylsulinylbutylcarbamothioylsulanyl)propanoic acid
Manual XrefsDatabases
21896881ChemSpider
HMDB0061113HMDB