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CHEBI:174810 - N-Acetyldjenkolic acid

ChEBI IDCHEBI:174810
ChEBI NameN-Acetyldjenkolic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N2O5S2
Net Charge0
Average Mass296.370
Monoisotopic Mass296.05006
SMILESCC(=O)NC(CSCSCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5S2/c1-5(12)11-7(9(15)16)3-18-4-17-2-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)
InChIKeyKXLLUVVNYPFZTI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-Acetyldjenkolic acid (CHEBI:174810) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
3-[(2-acetamido-2-carboxyethyl)sulanylmethylsulanyl]-2-aminopropanoic acid
Manual XrefsDatabases
35032868ChemSpider
HMDB0029421HMDB