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CHEBI:45957 - 2-(acetylamino)naphthalene-1,5-disulfonic acid

ChEBI IDCHEBI:45957
ChEBI Name2-(acetylamino)naphthalene-1,5-disulfonic acid
Stars
DefinitionA naphthalene-1,5-disulfonic acid with an acetamido group at the 2-position.
Last Modified11 January 2017
DownloadsMolfile
FormulaC12H11NO7S2
Net Charge0
Average Mass345.354
Monoisotopic Mass344.99769
SMILESCC(=O)Nc1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O
InChIInChI=1S/C12H11NO7S2/c1-7(14)13-10-6-5-8-9(12(10)22(18,19)20)3-2-4-11(8)21(15,16)17/h2-6H,1H3,(H,13,14)(H,15,16,17)(H,18,19,20)
InChIKeyWGOQGHNONXFNJQ-UHFFFAOYSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
2-(acetylamino)naphthalene-1,5-disulfonic acid (CHEBI:45957) has role epitope (CHEBI:53000)
2-(acetylamino)naphthalene-1,5-disulfonic acid (CHEBI:45957) is a naphthalenesulfonic acid (CHEBI:36336)
IUPAC Name 
2-acetamidonaphthalene-1,5-disulfonic acid
Synonyms  Source
2-(acetylamino)naphthalene-1,5-disulfonic acidPDBeChem
2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDPDBeChem
Manual XrefsDatabases
1C5CPDB
TK4PDBeChem
Citations