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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:2-hydroxy-5-nitrophenyl hydrogen sulfate
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Accession:CHEBI:41733 term browser browse the term
Definition:An aryl sulfate that is 4-nitrocatechol in which the hydroxy group that is meta to the nitro group has been converted into the corresponding hydrogen sulfate. It is used (commonly as its dipotassium salt) as a chromogenic substrate for sulphatase.
Synonyms:related_synonym: 2-hydroxy-5-nitrophenyl sulfate;   4-nitrocatechol sulfate;   Formula=C6H5NO7S;   InChI=1S/C6H5NO7S/c8-5-2-1-4(7(9)10)3-6(5)14-15(11,12)13/h1-3,8H,(H,11,12,13);   InChIKey=XMCCOOONGGUOLA-UHFFFAOYSA-N;   N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM;   SMILES=C1(=CC=C(C=C1OS(O)(=O)=O)[N+]([O-])=O)O;   p-nitrocatechol sulfate;   sulfuric acid mono-(2-hydroxy-5-nitro-phenyl ester)
 xref: CAS:10485-66-2
 xref_mesh: MESH:C021228
 xref: PDBeChem:CSN;   Reaxys:2058143

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  CHEBI ontology 0
    chemical entity 0
      group 0
        inorganic group 0
          nitro group 0
            nitro compound 0
              C-nitro compound 0
                4-nitrocatechol 0
                  2-hydroxy-5-nitrophenyl hydrogen sulfate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfuric acid 0
                                      sulfuric acid derivative 0
                                        sulfates 0
                                          organic sulfate 0
                                            aryl sulfate 0
                                              2-hydroxy-5-nitrophenyl hydrogen sulfate 0
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