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

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ChEBI Name	2-(acetylamino)naphthalene-1,5-disulfonic acid

ChEBI ID	CHEBI:45957

Definition	A naphthalene-1,5-disulfonic acid with an acetamido group at the 2-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H11NO7S2

Net Charge

Average Mass

345.34800

Monoisotopic Mass

344.99769

InChI

InChI=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)

InChIKey

WGOQGHNONXFNJQ-UHFFFAOYSA-N

SMILES

CC(=O)Nc1ccc2c(cccc2c1S(O)(=O)=O)S(O)(=O)=O

Roles Classification
Biological Role(s):	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	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	Sources
2-(acetylamino)naphthalene-1,5-disulfonic acid	PDBeChem
2-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACID	PDBeChem

Citation	Type	Source
11183784	PubMed citation	Europe PMC

Last Modified

11 January 2017