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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:1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid
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Accession:CHEBI:88735 term browser browse the term
Definition:A terpene glycoside that has formula C19H26O8.
Synonyms:related_synonym: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[4-(2-methylpropyl)phenyl]propanoyl}oxy)oxane-2-carboxylic acid;   (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]oxane-2-carboxylic acid;   1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate) b-D-Glucopyranuronic acid;   1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate) b-delta-Glucopyranuronic acid;   1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate) beta-delta-Glucopyranuronic acid;   Formula=C19H26O8;   Ibuprofen acyl glucuronide;   Ibuprofen acyl-beta-D-glucuronide;   InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1;   InChIKey=ABOLXXZAJIAUGR-JPMMFUSZSA-N;   SMILES=O1[C@@H](OC(=O)C(C2=CC=C(CC(C)C)C=C2)C)[C@H](O)[C@@H](O)[C@H](O)[C@H]1C(O)=O
 xref: CAS:115075-59-7;   HMDB:HMDB0010343
 xref_mesh: MESH:C081281
 xref: MetaCyc:Beta-D-Glucuronides;   PMID:7587932;   PMID:7781263;   PMID:8496270


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1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Il1a interleukin 1 alpha increases expression ISO ibuprofen acyl glucuronide results in increased expression of IL1A mRNA CTD PMID:26528891 NCBI chr 3:116,526,601...116,537,055
Ensembl chr 3:116,526,604...116,536,822 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    chemical entity 19829
      atom 19829
        nonmetal atom 19767
          carbon atom 19724
            organic molecular entity 19724
              isoprenoid 14029
                terpenoid 13728
                  terpene glycoside 476
                    1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      carbohydrate derivative 14294
                                        glycosyl compound 13051
                                          glycoside 11832
                                            terpene glycoside 476
                                              1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid 1
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