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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:4-nitrocatechol
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Accession:CHEBI:16318 term browser browse the term
Definition:A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol.
Synonyms:exact_synonym: 4-nitrobenzene-1,2-diol
 related_synonym: 1,2-Dihydroxy-4-nitrobenzene;   4-Nitropyrocatechol;   Formula=C6H5NO4;   InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H;   InChIKey=XJNPNXSISMKQEX-UHFFFAOYSA-N;   SMILES=C1(=CC=C(C=C1O)[N+]([O-])=O)O
 alt_id: CHEBI:12033;   CHEBI:1912;   CHEBI:20456;   CHEBI:40103
 xref: CAS:3316-09-4;   DrugBank:DB03407;   HMDB:HMDB0002916;   KEGG:C02235
 xref_mesh: MESH:C001833
 xref: MetaCyc:CPD-158;   PDBeChem:4NC;   PMID:14993710;   PMID:20854995;   PMID:8214571;   PMID:8267647;   Reaxys:1867508;   UM-BBD_compID:c0263
 cyclic_relationship: is_conjugate_acid_of CHEBI:57730


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4-nitrocatechol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Comt catechol-O-methyltransferase increases methylation EXP
ISO		 COMT protein results in increased methylation of 4-nitrocatechol CTD PMID:11160877 NCBI chr11:82,568,052...82,587,642
Ensembl chr11:82,568,025...82,587,642 		JBrowse link
G Cyp2e1 cytochrome P450, family 2, subfamily e, polypeptide 1 increases chemical synthesis
multiple interactions		 EXP
ISO		 CYP2E1 protein results in increased chemical synthesis of 4-nitrocatechol
[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol; daidzein inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]; isobavachalcone inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]; neobavaisoflavone inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]; psoralidin inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]
[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol; notopterol inhibits the reaction [[CYP2E1 protein results in increased metabolism of 4-nitrophenol] which results in increased chemical synthesis of 4-nitrocatechol]		 CTD PMID:31870919 PMID:32198085 NCBI chr 1:195,840,330...195,850,728
Ensembl chr 1:195,840,058...195,864,023 		JBrowse link
2-hydroxy-5-nitrophenyl hydrogen sulfate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Sts steroid sulfatase decreases activity ISO 4-nitrocatechol sulfate results in decreased activity of STS protein CTD PMID:6874424 NCBI chr  X:42,225,131...42,233,403
Ensembl chr  X:42,225,372...42,233,402 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19812
    role 19784
      biological role 19782
        biochemical role 19495
          metabolite 19480
            xenobiotic metabolite 14906
              human xenobiotic metabolite 14230
                4-nitrocatechol 3
                  2-hydroxy-5-nitrophenyl hydrogen sulfate 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19812
    subatomic particle 19810
      composite particle 19810
        hadron 19810
          baryon 19810
            nucleon 19810
              atomic nucleus 19810
                atom 19810
                  main group element atom 19755
                    p-block element atom 19755
                      carbon group element atom 19698
                        carbon atom 19693
                          organic molecular entity 19693
                            organic molecule 19651
                              organic cyclic compound 19457
                                organic aromatic compound 19315
                                  phenols 18635
                                    benzenediols 9102
                                      catechols 3353
                                        4-nitrocatechol 3
                                          2-hydroxy-5-nitrophenyl hydrogen sulfate 1
paths to the root