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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-methoxyacetaminophen glucuronide
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Accession:CHEBI:133005 term browser browse the term
Definition:A beta-D-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a beta-D-glucuronosyl group.
Synonyms:exact_synonym: 4-acetamido-3-methoxyphenyl beta-D-glucopyranosiduronic acid
 related_synonym: 2-methoxyacetaminophen O-beta-D-glucosiduronic acid;   2-methoxyacetaminophen beta-D-glucuronide;   Formula=C15H19NO9;   InChI=1S/C15H19NO9/c1-6(17)16-8-4-3-7(5-9(8)23-2)24-15-12(20)10(18)11(19)13(25-15)14(21)22/h3-5,10-13,15,18-20H,1-2H3,(H,16,17)(H,21,22)/t10-,11-,12+,13-,15+/m0/s1;   InChIKey=GDCCQRYSPGZVPX-DKBOKBLXSA-N;   SMILES=C=1(O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)C=CC(=C(C1)OC)NC(C)=O
 xref: PMID:4850385
 cyclic_relationship: is_conjugate_acid_of CHEBI:133006


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19718
      biological role 19717
        xenobiotic 18379
          paracetamol 10644
            2-methoxyacetaminophen glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19655
                    main group molecular entity 19655
                      s-block molecular entity 19397
                        hydrogen molecular entity 19387
                          hydrides 18419
                            inorganic hydride 17380
                              pnictogen hydride 17349
                                nitrogen hydride 17216
                                  azane 16932
                                    ammonia 16931
                                      organic amino compound 16930
                                        aromatic amine 13604
                                          anilines 12307
                                            substituted aniline 11803
                                              aminophenol 10645
                                                4-aminophenol 10644
                                                  paracetamol 10644
                                                    2-methoxyacetaminophen glucuronide 0
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