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CHEBI:202638 - 2-acetamido-3-(2,3-dihydroxybenzoylthio)propanoic acid

ChEBI IDCHEBI:202638
ChEBI Name2-acetamido-3-(2,3-dihydroxybenzoylthio)propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO6S
Net Charge0
Average Mass299.304
Monoisotopic Mass299.04636
SMILESCC(=O)N[C@@H](CSC(=O)c1cccc(O)c1O)C(=O)O
InChIInChI=1S/C12H13NO6S/c1-6(14)13-8(11(17)18)5-20-12(19)7-3-2-4-9(15)10(7)16/h2-4,8,15-16H,5H2,1H3,(H,13,14)(H,17,18)/t8-/m0/s1
InChIKeyAEHHBTDSMVLNMH-QMMMGPOBSA-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)
2-acetamido-3-(2,3-dihydroxybenzoylthio)propanoic acid (CHEBI:202638) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-acetamido-3-(2,3-dihydroxybenzoyl)sulanylpropanoic acid
Manual XrefsDatabases
78434722ChemSpider