CHEBI:53648 - 3,5-dinitrosalicylic acid

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ChEBI Name 3,5-dinitrosalicylic acid
ChEBI ID CHEBI:53648
Definition A monohydroxybenzoic acid consisting of 2-hydroxybenzoic acid having nitro substituents at the 3- and 5-positions. It is used in colorimetric testing for the presence of free carbonyl groups (C=O) in reducing sugars.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1409
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Formula C7H4N2O7
Net Charge 0
Average Mass 228.11590
Monoisotopic Mass 228.002
InChI InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)
InChIKey LWFUFLREGJMOIZ-UHFFFAOYSA-N
SMILES OC(=O)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): hapten
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
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ChEBI Ontology
Outgoing 3,5-dinitrosalicylic acid (CHEBI:53648) has functional parent salicylic acid (CHEBI:16914)
3,5-dinitrosalicylic acid (CHEBI:53648) has role hapten (CHEBI:59174)
3,5-dinitrosalicylic acid (CHEBI:53648) is a C-nitro compound (CHEBI:35716)
3,5-dinitrosalicylic acid (CHEBI:53648) is a monohydroxybenzoic acid (CHEBI:25389)
IUPAC Name
2-hydroxy-3,5-dinitrobenzoic acid
Synonyms Sources
3,5-Dinitro-2-hydroxybenzoic acid ChemIDplus
3,5-dinitro-2-salicylic acid ChEBI
3,5-Dinitrosalicylate ChemIDplus
3,5-Dinitrosalicylic acid KEGG COMPOUND
DNS ChEBI
DNSA ChEBI
o-dinitrocarboxylphenol ChEBI
o-DNCP ChEBI
Database Links Databases
3,5-Dinitrosalicylic acid Wikipedia
C11319 KEGG COMPOUND
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Registry Numbers Types Sources
2220661 Beilstein Registry Number Beilstein
2220661 Reaxys Registry Number Reaxys
5309 Gmelin Registry Number Gmelin
609-99-4 CAS Registry Number KEGG COMPOUND
609-99-4 CAS Registry Number ChemIDplus
609-99-4 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
10919335 PubMed citation Europe PMC
1650428 PubMed citation Europe PMC
23103512 PubMed citation Europe PMC
24612932 PubMed citation Europe PMC
6182245 PubMed citation Europe PMC
Last Modified
19 May 2014