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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-methylumbelliferone sulfate
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Accession:CHEBI:1905 term browser browse the term
Definition:A member of the class of coumarins that is umbelliferone sulfate which carries a methyl group at position 4. It is a metabolite of 4-methylumbelliferone.
Synonyms:related_synonym: (4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate;   (4-methyl-2-oxochromen-7-yl) hydrogen sulfate;   4-Methylumbelliferyl sulfate;   4-methyl-2-oxo-2H-1-benzopyran-7-yl hydrogen sulfate;   4-methyl-2-oxo-2H-chromen-7-yl hydrogen sulfate;   4-methyl-7-(sulfooxy)-2H-1-benzopyran-2-one;   7-sulfooxy-4-methylcoumarin;   hymecromone 7-sulfate
 xref: CAS:25892-63-1
 xref_mesh: MESH:C019492
 xref: PDB:4P06;   kegg.compound:C11585;   pdb-ccd:MUX;   pubmed:24601529;   pubmed:35294;   pubmed:3619646;   pubmed:3713703;   pubmed:8355186;   pubmed:9425929
 chemrof_formula: C10H8O6S
 chemrof_smiles: Cc1cc(=O)oc2cc(OS(=O)(=O)O)ccc12
 chemrof_inchikey: FUYLLJCBCKRIAL-UHFFFAOYSA-N
 chemrof_inchi: InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)
 cyclic_relationship: has_functional_parent CHEBI:133565;   has_functional_parent CHEBI:17224;   is_conjugate_acid_of CHEBI:144581


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4-methylumbelliferone sulfate term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Slc22a19 solute carrier family 22, member 19 multiple interactions EXP 4-methylumbelliferyl sulfate inhibits the reaction [SLC22A19 protein affects the transport of estrone sulfate] CTD PMID:16079298 NCBI chr 1:214,339,594...214,394,681
Ensembl chr 1:214,339,599...214,394,681 		JBrowse link
G Slc22a25 solute carrier family 22, member 25 multiple interactions EXP 4-methylumbelliferyl sulfate inhibits the reaction [SLC22A9 protein affects the transport of estrone sulfate] CTD PMID:18441515 NCBI chr 1:214,767,837...214,956,535
Ensembl chr 1:214,767,837...214,862,340 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        biochemical role 19888
          metabolite 19624
            xenobiotic metabolite 11380
              human xenobiotic metabolite 10551
                4-methylumbelliferone sulfate 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                organic heterocyclic compound 19381
                                  oxacycle 18273
                                    benzopyran 10790
                                      1-benzopyran 10376
                                        chromenes 4407
                                          chromenone 4383
                                            coumarins 4141
                                              4-methylumbelliferone sulfate 2
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