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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:5-bromo-4-chloro-3-indolyl beta-D-glucuronide
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Accession:CHEBI:75510 term browser browse the term
Definition:An indolyl carbohydrate that is the beta-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively
Synonyms:exact_synonym: 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid
 related_synonym: 5-Bromo-4-chloro-3-indolylglucuronide;   5-bromo-4-chloroindoxyl beta-D-glucuronide;   Bci-3 glud;   Formula=C14H13BrClNO7;   InChI=1S/C14H13BrClNO7/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)/t9-,10-,11+,12-,14+/m0/s1;   InChIKey=DHJFFLKPAYHPHU-BYNIDDHOSA-N;   SMILES=[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)Oc1c[nH]c2ccc(Br)c(Cl)c12
 xref: CAS:18656-89-8;   Patent:US5358854;   Reaxys:1555937


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Term Annotations click to browse term
  CHEBI ontology 26041
    chemical entity 26020
      molecular entity 25998
        polyatomic entity 25883
          heteroatomic molecular entity 25534
            halide 20995
              organohalogen compound 20893
                organochlorine compound 19988
                  5-bromo-4-chloro-3-indolyl beta-D-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26041
    subatomic particle 26016
      composite particle 26016
        hadron 26016
          baryon 26016
            nucleon 26016
              atomic nucleus 26016
                atom 26016
                  main group element atom 25841
                    p-block element atom 25841
                      carbon group element atom 25441
                        carbon atom 25399
                          organic molecular entity 25399
                            heteroorganic entity 24773
                              organochalcogen compound 24384
                                organooxygen compound 24061
                                  carbohydrates and carbohydrate derivatives 16791
                                    carbohydrate 16791
                                      carbohydrate derivative 15665
                                        glycosyl compound 13730
                                          glycoside 12289
                                            glycosiduronic acid 200
                                              glucosiduronic acid 200
                                                beta-D-glucosiduronic acid 51
                                                  5-bromo-4-chloro-3-indolyl beta-D-glucuronide 0
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